SCHEMBL7840177

SCHEMBL7840177

NS(=O)(=O)c1ccc(-c2sc(C(=O)c3ccc(Br)cc3)nc2-c2ccc(F)cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 18/20 0.58
PTGS1 P23219 7/20 0.53
PTGDR2 Q9Y5Y4 1/20 0.43
CA12 O43570 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43

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
SCHEMBL7833039 1.00 PTGS2 (0.58) PTGS2PTGS1PTGDR2CA12CA2
SCHEMBL7840109 0.94 PTGS2 (0.55) PTGS2PTGS1PTGDR2
SCHEMBL7845262 0.94 PTGS2 (0.55) PTGS2PTGS1PTGDR2
SCHEMBL7842805 0.89 PTGS2 (0.54) PTGS2PTGS1
SCHEMBL7841032 0.89 PTGS2 (0.62) PTGS2PTGS1
SCHEMBL7845241 0.89 PTGS2 (0.62) PTGS2PTGS1
SCHEMBL7846357 0.89 PTGS2 (0.58) PTGS2PTGS1PTGDR2CA12CA2
SCHEMBL7840983 0.89 PTGS2 (0.58) PTGS2PTGS1PTGDR2CA12CA2
SCHEMBL7845579 0.89 PTGS2 (0.54) PTGS2PTGS1
SCHEMBL7845608 0.89 PTGS2 (0.57) PTGS2PTGS1PTGDR2CA12CA2

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