SCHEMBL3245012

SCHEMBL3245012

CS(=O)(=O)c1ccc(-c2c(-c3ccccc3)oc3ccccc23)cc1

nearest known ligand 0.82

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 11/20 0.82
PTGS1 P23219 3/20 0.61
PLA2G2A P14555 1/20 0.48
PLA2G4A P47712 1/20 0.48

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6974845 0.90 PTGS2 (0.72) PTGS2PTGS1PLA2G2APLA2G4A
SCHEMBL6982238 0.89 PTGS2 (0.67) PTGS2PTGS1PLA2G2APLA2G4A
SCHEMBL3262768 0.86 PTGS2 (0.62) PTGS2PTGS1PLA2G2APLA2G4A
SCHEMBL6973940 0.82 PTGS2 (0.69) PTGS2PTGS1PLA2G2APLA2G4A
SCHEMBL6977093 0.82 PTGS2 (0.85) PTGS2PTGS1PLA2G2APLA2G4A
SCHEMBL592430 0.82 CA1 (0.55) PTGS2PTGS1PLA2G2APLA2G4A
SCHEMBL6978875 0.81 PTGS2 (0.67) PTGS2PTGS1PLA2G2APLA2G4A
SCHEMBL6979358 0.81 PTGS2 (0.67) PTGS2PTGS1PLA2G2APLA2G4A
SCHEMBL6970812 0.81 PTGS2 (0.64) PTGS2PTGS1
SCHEMBL6970224 0.81 PTGS2 (0.67) PTGS2PTGS1PLA2G2APLA2G4A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 32 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1390026-B1 TREATMENT OF HPV CAUSED DISEASES CORNELL RES FOUNDATION INC (US) 2010-05-05 EP claimed
US-6329421-B1 PHENYL-SUBSTITUTED BENZOFURAN AND BENZOTHIOPHENE DERIVATIVES; NONSTEROIDAL ANTIINFLAMMATORY AGENTS MERCK FROSST CANADA & CO. (CA) 2001-12-11 US claimed
EP-1146905-A1 COX-2 INHIBITORS IN COMBINATION WITH NMDA-BLOCKERS FOR TREATING PAIN Algos Pharmaceutical Corporation (US) 2001-10-24 EP claimed
WO-2000029022-A1 COX-2 INHIBITORS IN COMBINATION WITH CENTRALLY ACTING ANALGESICS ALGOS PHARMACEUTICAL CORPORATION (US) 2000-05-25 WO claimed
WO-2000029023-A1 COX-2 INHIBITORS IN COMBINATION WITH NMDA-BLOCKERS FOR TREATING PAIN ALGOS PHARMACEUTICAL CORPORATION (US) 2000-05-25 WO claimed
EP-0778834-B1 DIARYL BICYCLIC HETEROCYCLES AS INHIBITORS OF CYCLOOXYGENASE-2 MERCK FROSST CANADA INC (CA) 2000-01-26 EP claimed
WO-1998050075-A1 COX-2 INHIBITORS IN COMBINATION WITH NMDA-BLOCKERS FOR TREATING PAIN ALGOS PHARMACEUTICAL CORPORATION (US) 1998-11-12 WO claimed
EP-0778834-A1 DIARYL BICYCLIC HETEROCYCLES AS INHIBITORS OF CYCLOOXYGENASE-2 MERCK FROSST CANADA INC. (CA) 1997-06-18 EP claimed
WO-1996006840-A1 DIARYL BICYCLIC HETEROCYCLES AS INHIBITORS OF CYCLOOXYGENASE-2 MERCK FROSST CANADA INC. (CA) 1996-03-07 WO claimed
EP-1039914-A4 CYCLOOXYGENASE-2 INHIBITION CORNELL RES FOUNDATION INC (US) 2007-06-27 EP disclosed
US-7041694-B1 Cyclooxygenase-2 inhibition CORNELL RESEARCH FOUNDATION, INC. (US) 2006-05-09 US disclosed
WO-2005046650-A1 PHARMACEUTICAL FORMULATION CONTAINING MUSCLE RELAXANT AND COX-II INHIBITOR GLENMARK PHARMACEUTICALS LIMITED (US) 2005-05-26 WO disclosed
US-20050100594-A1 Pharmaceutical formulation containing muscle relaxant and COX-II inhibitor GLENMARK PHARMACEUTICALS LIMITED (IN) 2005-05-12 US disclosed
US-20050096371-A1 Topical pharmaceutical compositions GLENMARK PHARMACEUTICALS LIMITED (IN) 2005-05-05 US disclosed
EP-0778834-B1 DIARYL BICYCLIC HETEROCYCLES AS INHIBITORS OF CYCLOOXYGENASE-2 MERCK FROSST CANADA INC (CA) 2000-01-26 EP disclosed
WO-1999030721-A1 CYCLOOXYGENASE-2 INHIBITION CORNELL RESEARCH FOUNDATION, INC. (US) 1999-06-24 WO disclosed
WO-1998050075-A1 COX-2 INHIBITORS IN COMBINATION WITH NMDA-BLOCKERS FOR TREATING PAIN ALGOS PHARMACEUTICAL CORPORATION (US) 1998-11-12 WO disclosed
EP-0778834-A1 DIARYL BICYCLIC HETEROCYCLES AS INHIBITORS OF CYCLOOXYGENASE-2 MERCK FROSST CANADA INC. (CA) 1997-06-18 EP disclosed
US-5521213-A NONSTEROID ANTIINFLAMMATORY AGENTS MERCK FROSST CANADA, INC. (CA) 1996-05-28 US disclosed
WO-1996006840-A1 DIARYL BICYCLIC HETEROCYCLES AS INHIBITORS OF CYCLOOXYGENASE-2 MERCK FROSST CANADA INC. (CA) 1996-03-07 WO disclosed