SCHEMBL6994546

SCHEMBL6994546

CC1(C)OC(c2ccc(S(N)(=O)=O)c(Cl)c2)=C(c2ccc(F)c(F)c2)C1=O

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 12/20 0.40
PTGS1 P23219 9/20 0.40
NR3C1 P04150 1/20 0.37
PGR P06401 1/20 0.37
NR3C2 P08235 1/20 0.37
AR P10275 1/20 0.37
BRAF P15056 4/20 0.36
CDK2 P24941 1/20 0.34
GSK3B P49841 1/20 0.34

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
SCHEMBL3223651 0.91 PTGS2 (0.42) PTGS2PTGS1PGRBRAF
SCHEMBL6996451 0.90 PTGS2 (0.44) PTGS2PTGS1NR3C1PGRNR3C2
SCHEMBL6995636 0.89 PTGS2 (0.39) PTGS2PTGS1NR3C1PGRNR3C2
SCHEMBL6997983 0.89 PTGS2 (0.38) PTGS2PTGS1NR3C1PGRNR3C2
SCHEMBL7003225 0.89 PTGS2 (0.40) PTGS2PTGS1PGRBRAFCDK2
SCHEMBL7002262 0.88 PTGS2 (0.38) PTGS2PTGS1NR3C1PGRNR3C2
SCHEMBL3232556 0.87 PTGS2 (0.45) PTGS2PTGS1PGRBRAFCDK2
SCHEMBL6999791 0.87 PGR (0.40) PTGS2PTGS1PGRBRAFCDK2
SCHEMBL7003332 0.86 PTGS2 (0.41) PTGS2PTGS1NR3C1PGRNR3C2
SCHEMBL7000963 0.86 BRAF (0.44) PTGS2PTGS1NR3C1PGRNR3C2

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