SCHEMBL6994710

SCHEMBL6994710

CC1(C)OC(c2ccc(S(N)(=O)=O)c(F)c2)=C(c2cccc(Cl)c2)C1=S

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PGR P06401 7/20 0.38
PTGS2 P35354 7/20 0.38
PTGS1 P23219 4/20 0.38
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
PTGES2 Q9H7Z7 1/20 0.32
ESR2 Q92731 1/20 0.32

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
SCHEMBL6995368 0.91 PGR (0.38) PGRPTGS2PTGS1
SCHEMBL6995655 0.88 PGR (0.38) PGRPTGS2PTGS1CA1CA2
SCHEMBL7000159 0.84 PTGS2 (0.43) PGRPTGS2PTGS1PTGES2
SCHEMBL6993421 0.80 PGR (0.38) PGRPTGS2PTGS1ESR2
SCHEMBL6994557 0.80 PGR (0.40) PGRESR2
SCHEMBL6998443 0.79 PTGS2 (0.41) PGRPTGS2PTGS1
SCHEMBL3227515 0.78 PTGS2 (0.47) PGRPTGS2PTGS1
SCHEMBL6999791 0.78 PGR (0.40) PGRPTGS2PTGS1CA1CA2
SCHEMBL7003332 0.77 PTGS2 (0.41) PGRPTGS2PTGS1CA1CA2
SCHEMBL3223651 0.77 PTGS2 (0.42) PGRPTGS2PTGS1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1109799-B1 4,5-DIARYL-3(2H)-FURANONE DERIVATIVES AS CYCLOOXYGENASE-2 INHIBITORS PACIFIC CORP (KR) 2003-12-17 EP claimed
US-6492416-B1 TREATING INFLAMMATION AND ASSOCIATED DISORDERS PACIFIC CORPORATION (KR) 2002-12-10 US claimed
EP-1109799-A1 4,5-DIARYL-3(2H)-FURANONE DERIVATIVES AS CYCLOOXYGENASE-2 INHIBITORS PACIFIC CORPORATION (KR) 2001-06-27 EP claimed
WO-2000061571-A1 4,5-DIARYL-3(2H)-FURANONE DERIVATIVES AS CYCLOOXYGENASE-2 INHIBITORS PACIFIC CORPORATION (KR) 2000-10-19 WO claimed
EP-1109799-B1 4,5-DIARYL-3(2H)-FURANONE DERIVATIVES AS CYCLOOXYGENASE-2 INHIBITORS PACIFIC CORP (KR) 2003-12-17 EP disclosed
US-6492416-B1 TREATING INFLAMMATION AND ASSOCIATED DISORDERS PACIFIC CORPORATION (KR) 2002-12-10 US disclosed
EP-1109799-A1 4,5-DIARYL-3(2H)-FURANONE DERIVATIVES AS CYCLOOXYGENASE-2 INHIBITORS PACIFIC CORPORATION (KR) 2001-06-27 EP disclosed
WO-2000061571-A1 4,5-DIARYL-3(2H)-FURANONE DERIVATIVES AS CYCLOOXYGENASE-2 INHIBITORS PACIFIC CORPORATION (KR) 2000-10-19 WO disclosed