SCHEMBL8655533

SCHEMBL8655533

CS(=O)(=O)c1ccc(C2=C(c3ccc(C(F)(F)F)cc3)CCC2)nc1

nearest known ligand 0.73

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 20/20 0.73
PTGS1 P23219 3/20 0.58

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
SCHEMBL8653422 0.93 PTGS2 (0.73) PTGS2PTGS1
SCHEMBL8652338 0.88 PTGS2 (0.73) PTGS2PTGS1
SCHEMBL8652113 0.86 PTGS2 (0.71) PTGS2PTGS1
SCHEMBL215443 0.85 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL8654863 0.84 PTGS2 (0.70) PTGS2PTGS1
SCHEMBL6240103 0.84 PTGS2 (0.54) PTGS2PTGS1
SCHEMBL8651505 0.83 PTGS2 (0.71) PTGS2PTGS1
SCHEMBL8655352 0.83 PTGS2 (0.52) PTGS2PTGS1
SCHEMBL8652912 0.83 PTGS2 (0.58) PTGS2PTGS1
SCHEMBL8653458 0.83 PTGS2 (0.58) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0724566-B1 1,2-DIARYLCYCLOPENTENYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION SEARLE & CO (US) 1998-10-07 EP claimed
EP-0724566-A1 1,2-DIARYLCYCLOPENTENYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1996-08-07 EP claimed
WO-1995011883-A1 1,2-DIARYLCYCLOPENTENYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1995-05-04 WO claimed
US-5663180-A ANTIARTHRITIC, ANTIINFLAMMATORY AGENTS G.D. SEARLE & CO. (US) 1997-09-02 US disclosed
US-5420287-A 1,2 diarylcyclopentenyl compounds for the treatment of inflammation G. D. SEARLE & CO. (US) 1995-05-30 US disclosed
US-5344991-A Sulfonyl or sulfamyl derivatives for treatment of arthritis and pain G.D. SEARLE & CO. (US) 1994-09-06 US disclosed