SCHEMBL8655486

SCHEMBL8655486

CS(=O)(=O)c1ccc(C2=C(c3ccc(CO)cc3)CCC2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 20/20 1.00
PTGS1 P23219 3/20 0.64

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
SCHEMBL8658311 0.85 PTGS2 (0.74) PTGS2PTGS1
SCHEMBL5893459 0.84 PTGS2 (0.72) PTGS2
SCHEMBL8654452 0.84 PTGS2 (0.72) PTGS2PTGS1
SCHEMBL96651 0.82 PTGS2 (0.68) PTGS2
SCHEMBL8652283 0.81 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL8389407 0.81 PTGS2 (0.68) PTGS2PTGS1
SCHEMBL8384721 0.81 PTGS2 (0.68) PTGS2PTGS1
SCHEMBL8384823 0.80 PTGS2 (0.68) PTGS2PTGS1
SCHEMBL5698518 0.80 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL8652481 0.80 PTGS2 (1.00) 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 7 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-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