SCHEMBL7002071

SCHEMBL7002071

C[S+]([O-])c1ccc(C2=C(c3ccccc3C(F)(F)F)C(=O)C(C)(C)O2)cc1F

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
STK10 O94804 7/20 0.33
SLK Q9H2G2 7/20 0.33
AKR1C3 P42330 1/20 0.32
AKR1C2 P52895 1/20 0.32
ALOX5AP P20292 1/20 0.31
FEN1 P39748 1/20 0.31
PDE3B Q13370 2/20 0.31
PDE3A Q14432 2/20 0.31
TRPA1 O75762 1/20 0.31
AR P10275 1/20 0.31
BRAF P15056 1/20 0.30
HSD11B1 P28845 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
SCHEMBL7000064 0.88 PGR (0.35) PDE3BPDE3ABRAFHSD11B1
SCHEMBL6995597 0.85 PGR (0.38) STK10SLKARBRAF
SCHEMBL6997346 0.84 PTGS2 (0.32)
SCHEMBL6998749 0.83 TP53 (0.33) AKR1C3AKR1C2
SCHEMBL6994262 0.82 KIF11 (0.37) STK10SLKPDE3BPDE3ATRPA1
SCHEMBL6999902 0.82 PGR (0.34) AKR1C3AKR1C2
SCHEMBL6999446 0.82 PTGS2 (0.37) STK10SLKALOX5APFEN1PDE3B
SCHEMBL6997543 0.82 PTGS2 (0.37)
SCHEMBL6998821 0.81 STK10 (0.42) STK10SLKAKR1C3AKR1C2ALOX5AP
SCHEMBL6996435 0.81 BRAF (0.35) PDE3BPDE3ABRAFHSD11B1

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