SCHEMBL7003033

SCHEMBL7003033

CC(=O)c1ccc(C2=C(c3ccc(S(C)(=O)=O)cc3)OC(C)(C)C2=O)cc1C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 17/20 0.40
PTGS1 P23219 5/20 0.40
KIF11 P52732 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
SCHEMBL7001692 0.91 KIF11 (0.39) PTGS2PTGS1KIF11
SCHEMBL7001471 0.88 PTGS2 (0.39) PTGS2PTGS1KIF11
SCHEMBL6994363 0.86 PDE3B (0.34) KIF11
SCHEMBL7002155 0.84 PTGS2 (0.47) PTGS2PTGS1KIF11
SCHEMBL7002795 0.83 RXRA (0.42) PTGS2PTGS1KIF11
SCHEMBL6999589 0.81 PTGS2 (0.45) PTGS2PTGS1KIF11
SCHEMBL7003953 0.79 PTGS2 (0.49) PTGS2PTGS1
SCHEMBL6997640 0.79 PTGS2 (0.46) PTGS2PTGS1
SCHEMBL6996865 0.78 PTGS2 (0.47) PTGS2PTGS1
SCHEMBL6996469 0.78 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 4 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