SCHEMBL6515772

SCHEMBL6515772

CSc1ccc(CO)cc1F.Cc1nc(-c2ccc(-c3cscn3)cc2)c(-c2ccc(S(C)(=O)=O)c(F)c2)o1

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 11/20 0.44
PTGS1 P23219 6/20 0.44
PIK3CD O00329 1/20 0.32
PIK3CA P42336 1/20 0.32
PIK3CB P42338 1/20 0.32
PIK3CG P48736 1/20 0.32
GPR119 Q8TDV5 1/20 0.31

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
SCHEMBL6517809 0.86 PTGS2 (0.57) PTGS2PTGS1PIK3CDPIK3CAPIK3CB
SCHEMBL6534957 0.78 PTGS2 (0.71) PTGS2PTGS1
SCHEMBL6511244 0.77 PTGS2 (0.50) PTGS2PTGS1PIK3CDPIK3CAPIK3CB
SCHEMBL6514213 0.74 PTGS2 (0.65) PTGS2PTGS1
SCHEMBL6514544 0.73 PTGS2 (0.67) PTGS2PTGS1PIK3CDPIK3CAPIK3CB
SCHEMBL6520397 0.68 PTGS2 (0.48) PTGS2PTGS1PIK3CDPIK3CAPIK3CB
SCHEMBL6520481 0.67 PTGS2 (0.61) PTGS2PTGS1PIK3CDPIK3CAPIK3CB
SCHEMBL1940032 0.65 CYP4F2 (0.44) PTGS2PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL6517236 0.65 PTGS2 (0.49) PTGS2PTGS1PIK3CDPIK3CAPIK3CB
SCHEMBL6515793 0.64 PTGS2 (0.84) 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
US-6949536-B2 Sulfonylbenzene compounds as anti-inflammatory/analgesic agents PFIZER, INC. (US) 2005-09-27 US disclosed
EP-1086097-B1 SULFONYLBENZENE COMPOUNDS AS ANTI-INFLAMMATORY/ANALGESIC AGENTS PFIZER (US) 2004-05-19 EP disclosed
US-6727238-B2 CYCLOOXYGENASE INHIBITORS PFIZER INC. 2004-04-27 US disclosed
US-6608095-B2 Sulfonylbenzene and sulfonamidobenzene compounds which inhibit COX-2; treatment of a medical condition in which prostaglandins are implicated as pathogens PFIZER INC. 2003-08-19 US disclosed
US-6294558-B1 ANTIINFLAMMATORY AGENTS AND PROSTAGLANTINS PFIZER INC. 2001-09-25 US disclosed