SCHEMBL7002613

SCHEMBL7002613

CSc1ccc(C2=C(c3cc(F)cc(F)c3)C(=O)C(C)(C)O2)c(Cl)c1

nearest known ligand 0.39

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PGR P06401 1/20 0.32
PTGS2 P35354 1/20 0.32

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
SCHEMBL6996854 0.91 KDM4E (0.33) PGRPTGS2
SCHEMBL7001438 0.90 PTGS2 (0.39) PGRPTGS2
SCHEMBL6999283 0.88 PTGS2 (0.33) PGRPTGS2
SCHEMBL6996726 0.86 PTGS2 (0.43) PGRPTGS2
SCHEMBL6994747 0.84 BRAF (0.37) PGRPTGS2
SCHEMBL7000950 0.83 GSK3B (0.45) PGRPTGS2
SCHEMBL6997397 0.83 PTGS2 (0.38) PGRPTGS2
SCHEMBL7003139 0.81 PTGS2 (0.47) PTGS2
SCHEMBL6994802 0.81 PTGS2 (0.33) PGRPTGS2
SCHEMBL7001135 0.80 PTGS2 (0.39) PTGS2

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