SCHEMBL7003571

SCHEMBL7003571

C[S+]([O-])c1ccc(C2=C(c3ccc(F)cc3)C(=O)C(C)(C)O2)cc1Cl

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 7/20 0.33
PTGS1 P23219 6/20 0.33
PGR P06401 4/20 0.33
NR3C1 P04150 3/20 0.33
NR3C2 P08235 3/20 0.33
AR P10275 1/20 0.33
BRAF P15056 1/20 0.30

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
SCHEMBL6994340 0.92 PTGS2 (0.35) PTGS2PTGS1PGRNR3C1NR3C2
SCHEMBL7001623 0.91 PGR (0.34) PTGS2PTGS1PGRNR3C1NR3C2
SCHEMBL6992989 0.89 PTGS2 (0.32) PTGS2PTGS1PGR
SCHEMBL6992436 0.89 PTGS2 (0.43) PTGS2PTGS1PGRBRAF
SCHEMBL6995643 0.89 PTGS2 (0.37) PTGS2PTGS1PGRNR3C1NR3C2
SCHEMBL6995493 0.88 PTGS2 (0.34) PTGS2PTGS1PGRNR3C1NR3C2
SCHEMBL6998160 0.88 BRAF (0.37) PTGS2PTGS1PGRNR3C1NR3C2
SCHEMBL6992401 0.88 BRAF (0.37) PTGS2PTGS1PGRNR3C1NR3C2
SCHEMBL7002885 0.86 PTGS2 (0.33) PTGS2PTGS1PGRNR3C1NR3C2
SCHEMBL6999940 0.84 PTGS2 (0.36) PTGS2PTGS1PGRNR3C1NR3C2

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