SCHEMBL7843542

SCHEMBL7843542

CS(=O)(=O)c1ccc(-c2nc(CCCCC(=O)O)sc2-c2ccc(F)cc2)cc1

nearest known ligand 0.74

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 18/20 0.74
PTGS1 P23219 2/20 0.67
PTGDR2 Q9Y5Y4 1/20 0.49

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
SCHEMBL7833279 0.97 PTGS2 (0.75) PTGS2PTGS1
SCHEMBL7842169 0.92 PTGS2 (0.74) PTGS2PTGS1
SCHEMBL4325328 0.85 PTGS2 (0.58) PTGS2PTGS1PTGDR2
SCHEMBL4325159 0.85 PTGS2 (0.58) PTGS2PTGS1PTGDR2
SCHEMBL7832958 0.85 PTGS2 (0.74) PTGS2PTGS1PTGDR2
SCHEMBL7833967 0.85 PTGS2 (0.74) PTGS2PTGS1PTGDR2
SCHEMBL7840649 0.85 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL7834119 0.82 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL7841141 0.82 PTGS2 (0.79) PTGS2PTGS1
SCHEMBL7841727 0.82 PTGS2 (0.79) PTGS2PTGS1

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