SCHEMBL7832504

SCHEMBL7832504

Cc1ccc(-c2sc(-c3ccccc3Cl)nc2-c2ccc(S(N)(=O)=O)cc2)cc1Cl

nearest known ligand 0.72

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 18/20 0.72
PTGS1 P23219 10/20 0.72
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
CA12 O43570 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
SCHEMBL7839854 0.96 PTGS2 (0.72) PTGS2PTGS1CA1CA2CA12
SCHEMBL7832586 0.92 PTGS2 (0.72) PTGS2PTGS1CA1CA2CA12
SCHEMBL7842588 0.90 PTGS2 (0.78) PTGS2PTGS1
SCHEMBL7844945 0.88 PTGS2 (0.80) PTGS2PTGS1CA1CA2CA12
SCHEMBL7841574 0.88 PTGS2 (0.80) PTGS2PTGS1CA1CA2CA12
SCHEMBL7841012 0.87 PTGS2 (0.72) PTGS2PTGS1CA1CA2CA12
SCHEMBL7843981 0.87 PTGS2 (0.78) PTGS2PTGS1
SCHEMBL7846396 0.87 PTGS2 (0.85) PTGS2PTGS1CA1CA2CA12
SCHEMBL7842500 0.86 PTGS2 (0.78) PTGS2PTGS1
SCHEMBL7845222 0.86 PTGS2 (0.72) PTGS2PTGS1CA1CA2CA12

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