SCHEMBL8095061

SCHEMBL8095061

COc1nc(-c2cc(F)c(OC)c(F)c2)c(-c2ccc(S(C)(=O)=O)cc2)cc1CO

nearest known ligand 0.60

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 19/20 0.60
PTGS1 P23219 5/20 0.59
FYN P06241 1/20 0.41

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
SCHEMBL8099827 0.90 PTGS2 (0.48) PTGS2PTGS1
SCHEMBL8094700 0.88 PTGS2 (0.59) PTGS2PTGS1
SCHEMBL8094395 0.80 PTGS2 (0.58) PTGS2PTGS1
SCHEMBL8086507 0.78 PTGS2 (0.76) PTGS2PTGS1
SCHEMBL8092684 0.76 PTGS2 (0.49) PTGS2PTGS1
SCHEMBL8093929 0.74 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL6733126 0.74 PTGS2 (0.72) PTGS2PTGS1
SCHEMBL10067772 0.74 PTGS2 (0.57) PTGS2FYN
SCHEMBL6729235 0.73 PTGS2 (0.62) PTGS2PTGS1
SCHEMBL8085727 0.73 PTGS2 (0.45) 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