SCHEMBL2155381

SCHEMBL2155381

CCCCCC#CC(CS(=O)(=O)N1CCN(c2ccc(OC)c(OC)c2)CC1)N(O)C=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 4/20 0.44
MMP14 P50281 4/20 0.44
CYP3A4 P08684 2/20 0.44
ADAMTS4 O75173 3/20 0.40
KCNH2 Q12809 1/20 0.40
LMNA P02545 2/20 0.37
PKM P14618 1/20 0.36
DPP4 P27487 2/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
THRB P10828 1/20 0.34
GAA P10253 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HIF1A Q16665 2/20 0.33
CTSB P07858 1/20 0.33
CTSS P25774 1/20 0.33
CTSK P43235 1/20 0.33
ALDH1A1 P00352 1/20 0.32
HCRTR1 O43613 1/20 0.32

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
SCHEMBL2154951 0.89 MMP13 (0.48) MMP13MMP14CYP3A4ADAMTS4KCNH2
SCHEMBL2155266 0.88 CYP3A4 (0.42) MMP13MMP14CYP3A4ADAMTS4KCNH2
SCHEMBL16493585 0.86 LMNA (0.41) LMNAPKMDPP4MEN1KMT2A
SCHEMBL2154790 0.85 TP53 (0.45) MMP13MMP14CYP3A4LMNAGAA
SCHEMBL2155138 0.85 MMP13 (0.50) MMP13MMP14CYP3A4ADAMTS4KCNH2
SCHEMBL2155110 0.85 MMP13 (0.63) MMP13MMP14CYP3A4ADAMTS4KCNH2
SCHEMBL27693742 0.85 MMP13 (0.50) MMP13MMP14CYP3A4ADAMTS4KCNH2
SCHEMBL2154919 0.85 MMP13 (0.49) MMP13MMP14CYP3A4ADAMTS4KCNH2
SCHEMBL2154974 0.84 MMP13 (0.48) MMP13MMP14CYP3A4ADAMTS4KCNH2
SCHEMBL2154754 0.84 CYP3A4 (0.43) MMP13MMP14CYP3A4ADAMTS4KCNH2

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 10 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
US-7973039-B2 3-(1,3-benzodioxol-5-yl)-1-({[4-(4-fluorophenyl)-1-piperazinyl]sulfonyl}methyl)-2-propynyl(hydroxy)formamide; analgesics, anticarcinogenic agents, antiarthritic agents; matrix metalloproteinase inhhibitors MERCK SERONO SA (CH) 2011-07-05 US claimed
US-20080194520-A1 Sulfonyl Amino Cyclic Derivatives and Use Thereof MERCK SERONO SA (CH) 2008-08-14 US claimed
CN-101124213-A Sulfonylamino cyclic derivatives and uses thereof SERONO LAB (CH) 2008-02-13 CN claimed
EP-1828160-B1 SULFONYL AMINO CYCLIC DERIVATIVES AND USE THEREOF AS MMP INHIBITORS MERCK SERONO SA (CH) 2011-12-14 EP disclosed
US-7973039-B2 3-(1,3-benzodioxol-5-yl)-1-({[4-(4-fluorophenyl)-1-piperazinyl]sulfonyl}methyl)-2-propynyl(hydroxy)formamide; analgesics, anticarcinogenic agents, antiarthritic agents; matrix metalloproteinase inhhibitors MERCK SERONO SA (CH) 2011-07-05 US disclosed
US-7973039-B2 3-(1,3-benzodioxol-5-yl)-1-({[4-(4-fluorophenyl)-1-piperazinyl]sulfonyl}methyl)-2-propynyl(hydroxy)formamide; analgesics, anticarcinogenic agents, antiarthritic agents; matrix metalloproteinase inhhibitors MERCK SERONO SA (CH) 2011-07-05 US disclosed
US-20080194520-A1 Sulfonyl Amino Cyclic Derivatives and Use Thereof MERCK SERONO SA (CH) 2008-08-14 US disclosed
US-20080194520-A1 Sulfonyl Amino Cyclic Derivatives and Use Thereof MERCK SERONO SA (CH) 2008-08-14 US disclosed
CN-101124213-A Sulfonylamino cyclic derivatives and uses thereof SERONO LAB (CH) 2008-02-13 CN disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080194520-A1 Sulfonyl Amino Cyclic Derivatives and Use Thereof GLS2, SRM, GLS MMP13 2288/4885MMP14 2295/4885CYP3A4 1396/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.