SCHEMBL7843526

SCHEMBL7843526

COc1ccc(-c2nc(-c3ccncc3)c(-c3ccc(S(C)(=O)=O)cc3)s2)cc1

nearest known ligand 0.78

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 13/20 0.78
MAPK14 Q16539 2/20 0.67
PTGS1 P23219 1/20 0.51
TEK Q02763 1/20 0.50
ALOX5 P09917 1/20 0.47

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
SCHEMBL6503358 1.00 PTGS2 (0.78) PTGS2MAPK14PTGS1TEKALOX5
SCHEMBL7844066 0.88 PTGS2 (0.59) PTGS2MAPK14ALOX5
SCHEMBL7833473 0.88 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL7844433 0.88 PTGS2 (0.80) PTGS2MAPK14
SCHEMBL7841916 0.86 PTGS2 (1.00) PTGS2MAPK14PTGS1
SCHEMBL6508524 0.86 PTGS2 (1.00) PTGS2MAPK14PTGS1
SCHEMBL6503233 0.86 PTGS2 (0.78) PTGS2MAPK14PTGS1
SCHEMBL6282411 0.84 PTGS2 (0.57) PTGS2MAPK14ALOX5
SCHEMBL6504016 0.83 MAPK14 (0.81) PTGS2MAPK14
SCHEMBL7832730 0.83 PPARD (0.56) PTGS2MAPK14PTGS1

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 3 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
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