SCHEMBL7000143

SCHEMBL7000143

CC1(C)OC(c2ccc(S(N)(=O)=O)cc2)=C(c2ccccc2F)C1=O

nearest known ligand 0.66

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 15/20 0.46
PTGS1 P23219 11/20 0.46
CA1 P00915 3/20 0.46
CA2 P00918 3/20 0.46
CA9 Q16790 3/20 0.46
CA12 O43570 2/20 0.46
BRAF P15056 1/20 0.39

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
SCHEMBL7002421 0.89 PTGS2 (0.50) PTGS2PTGS1
SCHEMBL6999284 0.88 CA1 (0.58) PTGS2PTGS1CA1CA2CA9
SCHEMBL3234556 0.86 PTGS2 (0.47) PTGS2PTGS1CA1CA2BRAF
SCHEMBL7002057 0.86 CA1 (0.40) PTGS2PTGS1CA1CA2CA9
SCHEMBL6996437 0.86 PTGS2 (0.46) PTGS2PTGS1
SCHEMBL7846216 0.86 BRAF (0.42) PTGS2CA1CA2CA9CA12
SCHEMBL6997793 0.85 PTGS2 (0.40) PTGS2PTGS1BRAF
SCHEMBL6996908 0.83 CA1 (0.56) PTGS2PTGS1CA1CA2CA9
SCHEMBL6999977 0.83 CA2 (0.51) PTGS2PTGS1CA1CA2CA9
SCHEMBL7002002 0.83 PTGS2 (0.56) PTGS2PTGS1CA1CA2CA9

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