SCHEMBL8040710

SCHEMBL8040710

COc1cc(-c2ccc(S(C)(=O)=O)cc2)c(-c2ccc(SC)cc2)c(C(F)(F)F)n1

nearest known ligand 0.47

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 10/20 0.47
PTGS1 P23219 2/20 0.47

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
SCHEMBL8053288 0.92 PTGS2 (0.45) PTGS2PTGS1
SCHEMBL8051593 0.90 PTGS2 (0.47) PTGS2PTGS1
SCHEMBL8053426 0.88 PTGS2 (0.46) PTGS2PTGS1
SCHEMBL8040638 0.88 PTGS2 (0.49) PTGS2PTGS1
SCHEMBL215649 0.88 PTGS2 (0.49) PTGS2PTGS1
SCHEMBL8052132 0.88 PTGS2 (0.48) PTGS2PTGS1
SCHEMBL8051566 0.87 PTGS2 (0.44) PTGS2PTGS1
SCHEMBL8040701 0.87 PTGS2 (0.43) PTGS2PTGS1
SCHEMBL8051595 0.87 PTGS2 (0.46) PTGS2PTGS1
SCHEMBL8051584 0.87 PTGS2 (0.43) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0808305-B1 3,4-DIARYL SUBSTITUTED PYRIDINES FOR THE TREATMENT OF INFLAMMATION SEARLE & CO (US) 2000-05-03 EP claimed
EP-0808305-B1 3,4-DIARYL SUBSTITUTED PYRIDINES FOR THE TREATMENT OF INFLAMMATION SEARLE & CO (US) 2000-05-03 EP disclosed
EP-0808305-A1 3,4-DIARYL SUBSTITUTED PYRIDINES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1997-11-26 EP disclosed
US-5596008-A ANALGESICS, ANTIARTHRITIC G. D. SEARLE & CO. (US) 1997-01-21 US disclosed
WO-1996024585-A1 3,4-DIARYL SUBSTITUTED PYRIDINES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1996-08-15 WO disclosed