SCHEMBL8098348

SCHEMBL8098348

CS(=O)(=O)c1ccc(-c2cc(C#N)c(O)nc2-c2ccc(F)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 20/20 0.52
PTGS1 P23219 3/20 0.51

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
SCHEMBL8095222 0.89 PTGS2 (0.53) PTGS2PTGS1
SCHEMBL8098107 0.88 PTGS2 (0.52) PTGS2PTGS1
SCHEMBL212410 0.87 PTGS2 (0.51) PTGS2PTGS1
SCHEMBL8087025 0.87 PTGS2 (0.54) PTGS2PTGS1
SCHEMBL215180 0.86 PTGS2 (0.54) PTGS2PTGS1
SCHEMBL8085735 0.86 PTGS2 (0.52) PTGS2PTGS1
SCHEMBL8086811 0.85 PTGS2 (0.49) PTGS2PTGS1
SCHEMBL8094067 0.85 PTGS2 (0.49) PTGS2PTGS1
SCHEMBL215205 0.85 PTGS2 (0.53) PTGS2PTGS1
SCHEMBL8093805 0.85 PTGS2 (0.49) 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-0808304-B1 2,3-SUBSTITUTED PYRIDINES FOR THE TREATMENT OF INFLAMMATION SEARLE & CO (US) 2000-12-27 EP disclosed
US-5916905-A ANTIARTHRITIC AGENTS; ANALGESICS; ANTIPYRETICS G. D. SEARLE & CO. (US) 1999-06-29 US disclosed
EP-0808304-A1 2,3-SUBSTITUTED PYRIDINES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1997-11-26 EP disclosed
US-5686470-A 2, 3-substituted pyridines for the treatment of inflammation WEIER RICHARD M (US) 1997-11-11 US disclosed
WO-1996024584-A1 2,3-SUBSTITUTED PYRIDINES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1996-08-15 WO disclosed