SCHEMBL8310544

SCHEMBL8310544

CS(=O)(=O)c1ccc(C2=C(Br)CCC2)cc1

nearest known ligand 0.67

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 20/20 0.67
PTGS1 P23219 3/20 0.65

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
SCHEMBL8651278 0.86 PTGS2 (0.72) PTGS2PTGS1
SCHEMBL5698518 0.80 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL8652481 0.80 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL214545 0.79 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL8658099 0.79 PTGS2 (0.72) PTGS2PTGS1
Sc-57666 SCHEMBL213008 0.79 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL8652490 0.77 PTGS2 (0.70) PTGS2PTGS1
SCHEMBL212242 0.76 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL8658311 0.76 PTGS2 (0.74) PTGS2PTGS1
SCHEMBL213353 0.76 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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0904269-A1 3,4-DIARYL-2-HYDROXY-2,5-DIHYDROFURANS AS PRODRUGS TO COX-2 INHIBITORS MERCK FROSST CANADA INC. (CA) 1999-03-31 EP disclosed
EP-0900201-A1 PYRIDINYL-2-CYCLOPENTEN-1-ONES AS SELECTIVE CYCLOOXYGENASE-2 INHIBITORS MERCK FROSST CANADA INC. (CA) 1999-03-10 EP disclosed
EP-0724566-B1 1,2-DIARYLCYCLOPENTENYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION SEARLE & CO (US) 1998-10-07 EP disclosed
WO-1997040012-A1 PYRIDINYL-2-CYCLOPENTEN-1-ONES AS SELECTIVE CYCLOOXYGENASE-2 INHIBITORS MERCK FROSST CANADA INC. (CA) 1997-10-30 WO disclosed
US-5663180-A ANTIARTHRITIC, ANTIINFLAMMATORY AGENTS G.D. SEARLE & CO. (US) 1997-09-02 US disclosed
WO-1997016435-A1 3,4-DIARYL-2-HYDROXY-2,5-DIHYDROFURANS AS PRODRUGS TO COX-2 INHIBITORS MERCK FROSST CANADA INC. (CA) 1997-05-09 WO 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