SCHEMBL6996692

SCHEMBL6996692

CC(=O)c1cc(C2=C(c3ccc(S(N)(=O)=O)cc3)OC(C)(C)C2=O)cc(C(F)(F)F)c1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.42
RXRB P28702 1/20 0.42
RXRG P48443 1/20 0.42
KIF11 P52732 2/20 0.40
CA1 P00915 5/20 0.38
CA2 P00918 5/20 0.38
CA9 Q16790 5/20 0.38
CA12 O43570 4/20 0.38
PTGS2 P35354 4/20 0.36
PTGS1 P23219 2/20 0.36
MAPT P10636 1/20 0.36
CHRNA7 P36544 1/20 0.35
S1PR1 P21453 1/20 0.34
CA7 P43166 1/20 0.34

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
SCHEMBL7002795 0.91 RXRA (0.42) RXRARXRBRXRGKIF11PTGS2
SCHEMBL6997787 0.88 PTGS2 (0.40) CA1CA2CA9CA12PTGS2
SCHEMBL7001802 0.86 KIF11 (0.43) KIF11CA1CA2CA9CA12
SCHEMBL6995348 0.86 RXRA (0.42) RXRARXRBRXRGKIF11
SCHEMBL6991749 0.85 PTGS2 (0.41) CA1CA2CA9CA12PTGS2
SCHEMBL7002812 0.85 KIF11 (0.42) KIF11PTGS2PTGS1
SCHEMBL7001692 0.84 KIF11 (0.39) KIF11CA1CA2CA9CA12
SCHEMBL6994970 0.84 CA2 (0.46) CA1CA2CA9CA12PTGS2
SCHEMBL6996080 0.83 KIF11 (0.44) KIF11CA1CA2CA9CA12
SCHEMBL7000178 0.83 CA2 (0.46) CA1CA2CA9CA12PTGS2

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-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