SCHEMBL7842500

SCHEMBL7842500

Cc1ccc(-c2nc(-c3ccccc3Cl)sc2-c2ccc(S(C)(=O)=O)cc2)cc1Cl

nearest known ligand 0.78

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 16/20 0.78
PTGS1 P23219 2/20 0.67
MAPK14 Q16539 3/20 0.53
HSD11B1 P28845 1/20 0.46

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
SCHEMBL7842588 0.96 PTGS2 (0.78) PTGS2PTGS1MAPK14HSD11B1
SCHEMBL7847355 0.91 PTGS2 (0.78) PTGS2PTGS1MAPK14HSD11B1
SCHEMBL7839854 0.90 PTGS2 (0.72) PTGS2PTGS1
SCHEMBL7833085 0.88 PTGS2 (0.79) PTGS2PTGS1MAPK14HSD11B1
SCHEMBL7833377 0.88 PTGS2 (0.87) PTGS2PTGS1MAPK14HSD11B1
SCHEMBL7846431 0.88 PTGS2 (0.87) PTGS2PTGS1MAPK14HSD11B1
SCHEMBL5698703 0.88 PTGS2 (1.00) PTGS2PTGS1MAPK14
SCHEMBL7832998 0.87 PTGS2 (0.86) PTGS2PTGS1MAPK14HSD11B1
SCHEMBL7842503 0.87 PTGS2 (0.58) PTGS2PTGS1MAPK14HSD11B1
SCHEMBL8797504 0.87 PTGS2 (0.78) PTGS2PTGS1MAPK14HSD11B1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1125932-A2 Substituted thiazoles for the treatment of inflammation G.D. SEARLE & CO. (US) 2001-08-22 EP disclosed
US-5668161-A Substituted thiazoles for the treatment of inflammation G.D. SEARLE & CO. (US) 1997-09-16 US disclosed
EP-0772606-A1 SUBSTITUTED THIAZOLES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1997-05-14 EP disclosed
WO-1996003392-A1 SUBSTITUTED THIAZOLES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1996-02-08 WO disclosed