SCHEMBL7844723

SCHEMBL7844723

COc1c(Cl)cc(-c2sc(-c3ccccc3Cl)nc2-c2ccc(S(C)(=O)=O)cc2)cc1Cl

nearest known ligand 0.74

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 19/20 0.74
PTGS1 P23219 2/20 0.62
MAPK14 Q16539 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
SCHEMBL7842837 0.96 PTGS2 (0.74) PTGS2PTGS1MAPK14
SCHEMBL7833311 0.91 PTGS2 (0.73) PTGS2PTGS1
SCHEMBL7846602 0.91 PTGS2 (0.70) PTGS2PTGS1
SCHEMBL7844790 0.89 PTGS2 (0.73) PTGS2PTGS1
SCHEMBL7832739 0.88 PTGS2 (0.83) PTGS2PTGS1
SCHEMBL7846417 0.88 PTGS2 (0.83) PTGS2PTGS1
SCHEMBL7844793 0.87 PTGS2 (0.73) PTGS2PTGS1MAPK14
SCHEMBL7841035 0.87 PTGS2 (0.73) PTGS2PTGS1
SCHEMBL7842700 0.87 PTGS2 (0.73) PTGS2PTGS1MAPK14
SCHEMBL7844725 0.86 PTGS2 (0.54) 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