SCHEMBL7841809

SCHEMBL7841809

CS(=O)(=O)c1ccccc1-c1sc(COCc2ccc3ccccc3c2)nc1-c1ccc(F)cc1

nearest known ligand 0.48

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 18/20 0.48
PTGS1 P23219 2/20 0.44
ALOX5 P09917 1/20 0.40
PPARD Q03181 1/20 0.36

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
SCHEMBL7832909 0.93 PTGS2 (0.48) PTGS2PTGS1ALOX5
SCHEMBL7840986 0.90 PTGS2 (0.55) PTGS2PTGS1ALOX5
SCHEMBL7832907 0.87 PTGS2 (0.65) PTGS2PTGS1
SCHEMBL7841803 0.87 PTGS2 (0.65) PTGS2PTGS1
SCHEMBL7832794 0.84 PDE10A (0.46) PTGS2PTGS1ALOX5
SCHEMBL7841302 0.83 PTGS2 (0.51) PTGS2PTGS1ALOX5PPARD
SCHEMBL7846132 0.83 PTGS2 (0.53) PTGS2PTGS1ALOX5
SCHEMBL7843072 0.83 PTGS2 (0.52) PTGS2PTGS1ALOX5PPARD
SCHEMBL7844271 0.82 PTGS2 (0.53) PTGS2PTGS1ALOX5PPARD
SCHEMBL7844215 0.82 PTGS2 (0.55) PTGS2PTGS1ALOX5

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