SCHEMBL2156463

SCHEMBL2156463

COc1ccc(N2CCN(S(=O)(=O)CC(C#Cc3cccc(OC)c3)N(O)C=O)CC2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.48
MMP13 P45452 2/20 0.48
MMP14 P50281 2/20 0.48
ADAMTS4 O75173 1/20 0.42
KCNH2 Q12809 1/20 0.42
KMT2A Q03164 2/20 0.42
LMNA P02545 3/20 0.40
MAPT P10636 3/20 0.40
TSHR P16473 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TP53 P04637 3/20 0.39
GAA P10253 2/20 0.39
ALDH1A1 P00352 1/20 0.39
MEN1 O00255 1/20 0.39
POLB P06746 1/20 0.39
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC2 Q92769 1/20 0.39

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
SCHEMBL2155025 0.94 MMP13 (0.57) CYP3A4MMP13MMP14ADAMTS4KCNH2
SCHEMBL2155012 0.92 CYP3A4 (0.50) CYP3A4MMP13MMP14ADAMTS4KCNH2
SCHEMBL2154941 0.90 CYP3A4 (0.44) CYP3A4MMP13MMP14ADAMTS4KCNH2
SCHEMBL5508363 0.88 MMP13 (0.51) CYP3A4MMP13MMP14ADAMTS4KCNH2
SCHEMBL2156394 0.87 CYP3A4 (0.46) CYP3A4MMP13MMP14ADAMTS4KCNH2
SCHEMBL2155965 0.84 MMP13 (0.49) CYP3A4MMP13MMP14ADAMTS4KCNH2
SCHEMBL2155063 0.83 MMP13 (0.50) CYP3A4MMP13MMP14ADAMTS4KCNH2
SCHEMBL2155679 0.82 HDAC3 (0.45) KMT2ALMNAMAPTTSHRSMN1; SMN2
SCHEMBL27713627 0.81 LMNA (0.45) KMT2ALMNAMAPTTSHRSMN1; SMN2
SCHEMBL2154957 0.81 MMP13 (0.51) CYP3A4MMP13MMP14ADAMTS4KCNH2

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
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.