SCHEMBL6994262

SCHEMBL6994262

CC1(C)OC(c2ccc(S(C)(=O)=O)c(F)c2)=C(c2ccccc2C(F)(F)F)C1=O

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.37
NR1H2 P55055 4/20 0.36
NR1H3 Q13133 4/20 0.36
POLB P06746 1/20 0.35
PTGS2 P35354 5/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
BRAF P15056 3/20 0.34
TRPA1 O75762 1/20 0.33
STK10 O94804 1/20 0.33
SLK Q9H2G2 1/20 0.33
PDE3B Q13370 1/20 0.33
PDE3A Q14432 1/20 0.33
PTGS1 P23219 1/20 0.33
PTPN1 P18031 1/20 0.33

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
SCHEMBL6999446 0.91 PTGS2 (0.37) KIF11PTGS2BRAFSTK10SLK
SCHEMBL6995613 0.88 PTGS2 (0.40) PTGS2BRAFPTGS1PTPN1
SCHEMBL7651917 0.85 BRAF (0.38) PTGS2BRAFPDE3BPDE3APTGS1
SCHEMBL7001355 0.85 PTGS2 (0.39) PTGS2BRAFSTK10SLKPTGS1
SCHEMBL7002230 0.84 HSD11B1 (0.42) KIF11PTGS2PTGS1
SCHEMBL6992554 0.83 PTGS2 (0.40) PTGS2PTGS1
SCHEMBL6999477 0.83 ALOX5AP (0.38) KIF11POLBPTGS2PTGS1
SCHEMBL7002071 0.82 STK10 (0.33) BRAFTRPA1STK10SLKPDE3B
SCHEMBL6998821 0.82 STK10 (0.42) BRAFTRPA1STK10SLKPDE3B
SCHEMBL6996578 0.81 ELANE (0.40) NR1H2NR1H3PTGS2PTGS1

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