SCHEMBL5508359

SCHEMBL5508359

O=CNOC(C#CCc1ccccc1)CS(=O)(=O)N1CCN(c2ccc(F)cc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 4/20 0.46
MMP14 P50281 4/20 0.46
CYP3A4 P08684 3/20 0.46
TP53 P04637 2/20 0.43
LMNA P02545 2/20 0.42
POLB P06746 2/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
ADAMTS4 O75173 5/20 0.40
KCNH2 Q12809 1/20 0.39
KDM4E B2RXH2 1/20 0.38

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
SCHEMBL5505431 0.89 MMP13 (0.48) MMP13MMP14CYP3A4TP53LMNA
SCHEMBL2155796 0.85 MMP13 (0.50) MMP13MMP14CYP3A4TP53LMNA
SCHEMBL2156329 0.83 MMP13 (0.48) MMP13MMP14CYP3A4TP53LMNA
SCHEMBL2156890 0.81 TP53 (0.48) MMP13MMP14CYP3A4TP53LMNA
SCHEMBL2155260 0.80 THRB (0.40) MMP13MMP14CYP3A4TP53LMNA
SCHEMBL2156038 0.79 MMP13 (0.61) MMP13MMP14CYP3A4TP53LMNA
SCHEMBL2156043 0.79 TP53 (0.49) MMP13MMP14CYP3A4TP53LMNA
SCHEMBL16493547 0.77 AR (0.39) LMNAPOLBALDH1A1HPGDKDM4E
SCHEMBL16493578 0.74 LMNA (0.48) MMP13MMP14CYP3A4TP53LMNA
SCHEMBL16493579 0.74 LMNA (0.52) TP53LMNAPOLBMEN1KMT2A

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-1828160-B1 SULFONYL AMINO CYCLIC DERIVATIVES AND USE THEREOF AS MMP INHIBITORS MERCK SERONO SA (CH) 2011-12-14 EP claimed
EP-1828160-B1 SULFONYL AMINO CYCLIC DERIVATIVES AND USE THEREOF AS MMP INHIBITORS MERCK SERONO SA (CH) 2011-12-14 EP disclosed
EP-1828160-A1 SULFONYL AMINO CYCLIC DERIVATIVES AND USE THEREOF AS MMP INHIBITORS LABORATOIRES SERONO S.A. (CH) 2007-09-05 EP disclosed
WO-2006067114-A1 SULFONYL AMINO CYCLIC DERIVATIVES AND USE THEREOF LABORATOIRES SERONO S.A. (CH) 2006-06-29 WO disclosed