SCHEMBL8656608

SCHEMBL8656608

CCC1(CC)CC(c2ccncc2)=C(c2ccc(S(C)(=O)=O)cc2)C1

nearest known ligand 0.72

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 19/20 0.72
PTGS1 P23219 10/20 0.56
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42

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
SCHEMBL8653179 0.87 PTGS2 (0.74) PTGS2PTGS1
SCHEMBL8651232 0.87 PTGS2 (0.55) PTGS2PTGS1
SCHEMBL8655495 0.84 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL8654925 0.83 PTGS2 (0.69) PTGS2PTGS1
SCHEMBL8655405 0.83 PTGS2 (0.72) PTGS2PTGS1
SCHEMBL8652043 0.82 PTGS2 (0.55) PTGS2PTGS1
SCHEMBL8385108 0.82 PTGS2 (0.72) PTGS2PTGS1
SCHEMBL8653349 0.80 PTGS2 (0.71) PTGS2PTGS1
SCHEMBL8384158 0.79 PTGS2 (0.72) PTGS2PTGS1
SCHEMBL8384238 0.79 PTGS2 (0.72) 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 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