SCHEMBL7002795

SCHEMBL7002795

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

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.42
RXRB P28702 1/20 0.42
RXRG P48443 1/20 0.42
PTGS2 P35354 12/20 0.40
PTGS1 P23219 3/20 0.38
KIF11 P52732 1/20 0.37
PTGDR2 Q9Y5Y4 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
SCHEMBL6996692 0.91 RXRA (0.42) RXRARXRBRXRGPTGS2PTGS1
SCHEMBL6999589 0.90 PTGS2 (0.45) PTGS2PTGS1KIF11
SCHEMBL6995348 0.87 RXRA (0.42) RXRARXRBRXRGKIF11
SCHEMBL6994647 0.86 PTGS1 (0.49) PTGS2PTGS1KIF11
SCHEMBL6995322 0.85 PTGS2 (0.43) PTGS2PTGS1KIF11
SCHEMBL7003033 0.83 PTGS2 (0.40) PTGS2PTGS1KIF11
SCHEMBL6997640 0.83 PTGS2 (0.46) PTGS2PTGS1
SCHEMBL7003953 0.83 PTGS2 (0.49) PTGS2PTGS1
SCHEMBL6996865 0.83 PTGS2 (0.47) PTGS2PTGS1
SCHEMBL6996469 0.83 PTGS2 (0.50) 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-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