SCHEMBL6451855

SCHEMBL6451855

CC(C)(O)CNC(=O)c1cc(-c2ccc(OC(F)(F)F)cc2)cs1

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MMP12 P39900 7/20 0.60
MMP13 P45452 2/20 0.56
ABL1 P00519 1/20 0.49
ULK1 O75385 5/20 0.48
CFTR P13569 1/20 0.47
IKBKE Q14164 2/20 0.45
AURKB Q96GD4 2/20 0.45
TBK1 Q9UHD2 2/20 0.45
MMP2 P08253 1/20 0.44
MMP8 P22894 1/20 0.44
MARK3 P27448 1/20 0.44
SCN10A Q9Y5Y9 1/20 0.43
MAPK1 P28482 1/20 0.42
EPHX2 P34913 1/20 0.40
NR1H4 Q96RI1 1/20 0.40

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
SCHEMBL6450864 0.83 MMP12 (0.62) MMP12MMP13ABL1ULK1MMP2
SCHEMBL6450492 0.83 MMP12 (0.60) MMP12MMP13ABL1ULK1MMP2
SCHEMBL6451092 0.83 MMP12 (0.59) MMP12MMP13ABL1ULK1CFTR
SCHEMBL6468492 0.83 MMP12 (0.63) MMP12MMP13ABL1IKBKETBK1
SCHEMBL6881919 0.81 MMP12 (0.58) MMP12MMP13ABL1ULK1IKBKE
SCHEMBL6885130 0.81 MMP12 (0.58) MMP12MMP13ABL1ULK1IKBKE
SCHEMBL6462719 0.81 MMP12 (0.64) MMP12MMP13ABL1MAPK1EPHX2
SCHEMBL6463535 0.81 MMP12 (0.88) MMP12MMP13ABL1MMP2MMP8
SCHEMBL6450644 0.80 MMP12 (0.56) MMP12MMP13ABL1ULK1IKBKE
SCHEMBL6451716 0.79 MMP12 (0.81) MMP12MMP13ABL1MMP2MMP8

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1534700-A1 NOVEL THIOPHENE DERIVATIVES, PREPARATION METHOD THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME WARNER-LAMBERT COMPANY LLC (US) 2005-06-01 EP disclosed
WO-2004018448-A1 NOVEL THIOPHENE DERIVATIVES, PREPARATION METHOD THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME WARNER-LAMBERT COMPANY LLC (US) 2004-03-04 WO disclosed