SCHEMBL7002885

SCHEMBL7002885

C[S+]([O-])c1ccc(C2=C(c3ccc(F)cc3)C(=O)C(C)(C)O2)cc1Br

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 5/20 0.33
PTGS1 P23219 5/20 0.33
NR3C1 P04150 1/20 0.32
PGR P06401 1/20 0.32
NR3C2 P08235 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
SCHEMBL6997177 0.92 PTGS2 (0.35) PTGS2PTGS1PGR
SCHEMBL6996452 0.89 HK2 (0.33) PTGS2PTGS1
SCHEMBL7001798 0.89 PTGS2 (0.43) PTGS2PTGS1PGR
SCHEMBL7000038 0.88 PGR (0.33) PTGS2PGR
SCHEMBL6995493 0.88 PTGS2 (0.34) PTGS2PTGS1NR3C1PGRNR3C2
SCHEMBL6995894 0.88 BRAF (0.33)
SCHEMBL6999988 0.88 BRAF (0.33) PTGS2PGRNR3C2
SCHEMBL7003571 0.86 PTGS2 (0.33) PTGS2PTGS1NR3C1PGRNR3C2
SCHEMBL7001428 0.82 PGR (0.38) PGR
SCHEMBL6994061 0.82 PGR (0.33) PGR

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