SCHEMBL7844945

SCHEMBL7844945

Cc1ccc(-c2nc(-c3ccccc3Cl)sc2-c2ccc(S(N)(=O)=O)cc2)cc1

nearest known ligand 0.80

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 17/20 0.80
PTGS1 P23219 7/20 0.80
CA1 P00915 3/20 0.46
CA2 P00918 3/20 0.46
CA12 O43570 2/20 0.44
CA9 Q16790 2/20 0.44
CA3 P07451 1/20 0.44
CA6 P23280 1/20 0.44
CA5A P35218 1/20 0.44
CA7 P43166 1/20 0.44
CA5B Q9Y2D0 1/20 0.44

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
SCHEMBL7841574 1.00 PTGS2 (0.80) PTGS2PTGS1CA1CA2CA12
SCHEMBL7846396 0.92 PTGS2 (0.85) PTGS2PTGS1CA1CA2CA12
SCHEMBL7843002 0.91 PTGS2 (0.83) PTGS2PTGS1CA1CA2CA12
SCHEMBL7845239 0.91 PTGS2 (0.83) PTGS2PTGS1CA1CA2CA12
SCHEMBL7846431 0.90 PTGS2 (0.87) PTGS2PTGS1
SCHEMBL7833377 0.90 PTGS2 (0.87) PTGS2PTGS1
SCHEMBL7845235 0.90 PTGS2 (0.81) PTGS2PTGS1CA1CA2CA12
SCHEMBL7844120 0.90 PTGS2 (0.81) PTGS2PTGS1CA1CA2CA12
SCHEMBL7841042 0.89 PTGS2 (0.80) PTGS2PTGS1CA1CA2CA12
SCHEMBL7843865 0.89 PTGS2 (0.77) 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