SCHEMBL7001802

SCHEMBL7001802

CC1(C)OC(c2ccc(S(N)(=O)=O)cc2)=C(c2cc(F)cc(C(F)(F)F)c2)C1=O

nearest known ligand 0.69

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 2/20 0.43
PTGS2 P35354 13/20 0.41
PTGS1 P23219 10/20 0.41
PGR P06401 1/20 0.40
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36

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
SCHEMBL6994647 0.90 PTGS1 (0.49) KIF11PTGS2PTGS1PGR
SCHEMBL7004184 0.90 PTGS2 (0.46) KIF11PTGS2PTGS1
SCHEMBL7002812 0.88 KIF11 (0.42) KIF11PTGS2PTGS1
SCHEMBL7002614 0.88 KIF11 (0.40) KIF11PTGS2PTGS1PGR
SCHEMBL6996692 0.86 RXRA (0.42) KIF11PTGS2PTGS1CA12CA1
SCHEMBL6996080 0.86 KIF11 (0.44) KIF11PTGS2PTGS1CA12CA1
SCHEMBL7000891 0.84 PGR (0.43) PTGS2PTGS1PGR
SCHEMBL6993265 0.83 PGR (0.41) PTGS2PTGS1PGR
SCHEMBL6999589 0.83 PTGS2 (0.45) KIF11PTGS2PTGS1
SCHEMBL6992672 0.82 PTGS2 (0.51) 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-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-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