SCHEMBL8040656

SCHEMBL8040656

C#CCCOc1cc(-c2ccc(S(C)(=O)=O)cc2)c(-c2ccc(F)cc2)c(C(F)(F)F)n1

nearest known ligand 0.44

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 9/20 0.43
PTGS1 P23219 3/20 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
SCHEMBL8055349 0.90 PTGS2 (0.41) PTGS2PTGS1
SCHEMBL213154 0.90 PTGS2 (0.43) PTGS2PTGS1
SCHEMBL8040705 0.88 PTGS2 (0.50) PTGS2PTGS1
SCHEMBL8040663 0.87 PTGS2 (0.56) PTGS2PTGS1
SCHEMBL8053348 0.86 ALOX5 (0.38) PTGS2PTGS1
SCHEMBL213640 0.86 PTGS2 (0.51) PTGS2PTGS1
SCHEMBL215649 0.82 PTGS2 (0.49) PTGS2PTGS1
SCHEMBL8053441 0.80 PTGS2 (0.43) PTGS2PTGS1
SCHEMBL8051576 0.80 PTGS2 (0.44) PTGS2PTGS1
SCHEMBL8040698 0.79 PTGS2 (0.46) 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 7 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-A1 3,4-DIARYL SUBSTITUTED PYRIDINES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1997-11-26 EP claimed
WO-1996024585-A1 3,4-DIARYL SUBSTITUTED PYRIDINES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1996-08-15 WO 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