SCHEMBL6994802

SCHEMBL6994802

C[S+]([O-])c1ccc(C2=C(c3cc(F)cc(F)c3)C(=O)C(C)(C)O2)c(Cl)c1

nearest known ligand 0.41

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.33
PGR P06401 1/20 0.32
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
SCHEMBL7002055 0.91 PTGS2 (0.33) PTGS2PGRBRAF
SCHEMBL6996644 0.90 PTGS2 (0.40) PTGS2PGRBRAF
SCHEMBL7001563 0.88 PTGS2 (0.34) PTGS2
SCHEMBL6999198 0.86 PTGS2 (0.32) PTGS2PGR
SCHEMBL6996610 0.84 BRAF (0.38) BRAF
SCHEMBL6997186 0.83 PGR (0.37) PTGS2PGR
SCHEMBL6999796 0.83 PTGS2 (0.39) PTGS2PGR
SCHEMBL7003139 0.82 PTGS2 (0.47) PTGS2
SCHEMBL7001135 0.81 PTGS2 (0.39) PTGS2BRAF
SCHEMBL7002613 0.81 PGR (0.32) PTGS2PGR

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