SCHEMBL2155266

SCHEMBL2155266

CCCCCC#CC(CS(=O)(=O)N1CCN(c2cccc(OC)c2)CC1)N(O)C=O

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.42
MMP13 P45452 2/20 0.42
MMP14 P50281 2/20 0.42
DRD2 P14416 1/20 0.40
TP53 P04637 2/20 0.39
MAPT P10636 1/20 0.39
ALDH1A1 P00352 1/20 0.38
KCNH2 Q12809 3/20 0.38
THRB P10828 2/20 0.38
ADAMTS4 O75173 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.36
HTR7 P34969 1/20 0.36
LMNA P02545 2/20 0.36
MAPK1 P28482 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
GRM2 Q14416 1/20 0.36
KMT2A Q03164 1/20 0.36
DCTPP1 Q9H773 1/20 0.36

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 0.91 MMP13 (0.48) CYP3A4MMP13MMP14DRD2TP53
SCHEMBL2154754 0.90 CYP3A4 (0.43) CYP3A4MMP13MMP14TP53MAPT
SCHEMBL2154919 0.89 MMP13 (0.49) CYP3A4MMP13MMP14KCNH2ADAMTS4
SCHEMBL2155381 0.88 MMP13 (0.44) CYP3A4MMP13MMP14ALDH1A1KCNH2
SCHEMBL2155697 0.86 MMP13 (0.46) CYP3A4MMP13MMP14MAPTKCNH2
SCHEMBL2154974 0.84 MMP13 (0.48) CYP3A4MMP13MMP14KCNH2ADAMTS4
SCHEMBL2154790 0.84 TP53 (0.45) CYP3A4MMP13MMP14DRD2TP53
SCHEMBL2154941 0.83 CYP3A4 (0.44) CYP3A4MMP13MMP14TP53MAPT
SCHEMBL2155110 0.83 MMP13 (0.63) CYP3A4MMP13MMP14TP53ALDH1A1
SCHEMBL2155138 0.83 MMP13 (0.50) CYP3A4MMP13MMP14MAPTKCNH2

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 11 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
EP-1828160-B1 SULFONYL AMINO CYCLIC DERIVATIVES AND USE THEREOF AS MMP INHIBITORS MERCK SERONO SA (CH) 2011-12-14 EP disclosed
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-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
US-20080194520-A1 Sulfonyl Amino Cyclic Derivatives and Use Thereof MERCK SERONO SA (CH) 2008-08-14 US 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 CYP3A4 1396/4885MMP13 2288/4885MMP14 2295/4885

“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.