SCHEMBL8652240

SCHEMBL8652240

CS(=O)(=O)c1ccc(C2=C(c3ccc(C(F)(F)F)nc3)CC(F)C2)cc1

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.53
MAP4K4 O95819 1/20 0.53
PIK3CA P42336 1/20 0.53
MINK1 Q8N4C8 1/20 0.53
PI4KB Q9UBF8 1/20 0.53
PTGS2 P35354 16/20 0.48
PTGS1 P23219 6/20 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
SCHEMBL8655054 0.89 KCNH2 (0.53) KCNH2MAP4K4PIK3CAMINK1PI4KB
SCHEMBL8652907 0.88 KCNH2 (0.52) KCNH2MAP4K4PIK3CAMINK1PI4KB
SCHEMBL8652130 0.86 KCNH2 (0.50) KCNH2MAP4K4PIK3CAMINK1PI4KB
SCHEMBL8656533 0.86 KCNH2 (0.50) KCNH2MAP4K4PIK3CAMINK1PI4KB
SCHEMBL8651935 0.85 PTGS2 (0.47) PTGS2PTGS1
SCHEMBL8651548 0.85 KCNH2 (0.52) KCNH2MAP4K4PIK3CAMINK1PI4KB
SCHEMBL8653383 0.85 KCNH2 (0.52) KCNH2MAP4K4PIK3CAMINK1PI4KB
SCHEMBL8655415 0.83 PTGS2 (0.69) KCNH2MAP4K4PIK3CAMINK1PI4KB
SCHEMBL8657626 0.83 PTGS2 (0.68) PTGS2PTGS1
SCHEMBL8652643 0.82 PTGS2 (0.65) KCNH2MAP4K4PIK3CAMINK1PI4KB

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