CIPSI: An open chemical intellectual property service for medicinal chemists

Author:

Martinez‐Sevillano Maria1,Falaguera Maria J.23,Mestres Jordi14ORCID

Affiliation:

1. Systems Pharmacology, Research Group on Biomedical Informatics (GRIB) IMIM Hospital del Mar Medical Research Institute Doctor Aiguader 88 08028 Barcelona Spain

2. European Molecular Biology Laboratory – European Bioinformatics Institute (EMBL-EBI) Wellcome Genome Campus Hinxton CB10 1SD UK

3. Open Targets, Wellcome Genome Campus Hinxton CB10 1SD UK

4. Institut de Quimica Computacional i Catalisi, Facultat de Ciencies Universitat de Girona Maria Aurelia Capmany 69 17003 Girona Spain

Abstract

AbstractThe availability of patent chemical data offers public access to a chemical space that is not well covered by other sources collecting small molecules from scholarly literature. However, open applications to facilitate the search and analysis of biologically‐relevant molecular structures present in patents are still largely missing. We have developed CIPSI, an open Chemical Intellectual Property Service @ IMIM to assist medicinal chemists in searching and analysing molecules in SureChEMBL patents. The current version contains 6,240,500 molecules from 236,689 pharmacological patents, of which 5,949,214 are confidently assigned to core chemical structures reminiscent of the Markush structure in the patent claim. The platform includes some graphical tools to facilitate comparative patent analyses between drugs, chemical substructures, and company assignees. CIPSI is available at https://cipsi.org.

Funder

Ministerio de Ciencia e Innovación

Publisher

Wiley

Subject

Organic Chemistry,Computer Science Applications,Drug Discovery,Molecular Medicine,Structural Biology

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