SCHEMBL2155379

SCHEMBL2155379

O=CN(O)[C@H](C#Cc1ccccc1)CS(=O)(=O)N1CCN(c2ccc(F)cc2)CC1

nearest known ligand 0.63

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 5/20 0.63
MMP14 P50281 5/20 0.63
CYP3A4 P08684 3/20 0.63
ADAMTS4 O75173 6/20 0.54
KCNH2 Q12809 2/20 0.54
TP53 P04637 1/20 0.45
MMP1 P03956 1/20 0.43
LMNA P02545 4/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
POLB P06746 1/20 0.41
SMN1; SMN2 Q16637 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
SCHEMBL2155486 1.00 MMP13 (0.63) MMP13MMP14CYP3A4ADAMTS4KCNH2
SCHEMBL2155490 1.00 MMP13 (0.63) MMP13MMP14CYP3A4ADAMTS4KCNH2
SCHEMBL2154957 0.91 MMP13 (0.51) MMP13MMP14CYP3A4ADAMTS4KCNH2
SCHEMBL2155427 0.90 MMP14 (0.50) MMP13MMP14CYP3A4ADAMTS4KCNH2
SCHEMBL2155590 0.90 MMP13 (0.50) MMP13MMP14CYP3A4ADAMTS4KCNH2
SCHEMBL2156817 0.89 MMP13 (0.57) MMP13MMP14CYP3A4ADAMTS4KCNH2
SCHEMBL2156038 0.89 MMP13 (0.61) MMP13MMP14CYP3A4ADAMTS4KCNH2
SCHEMBL2155012 0.88 CYP3A4 (0.50) MMP13MMP14CYP3A4ADAMTS4KCNH2
SCHEMBL2155965 0.87 MMP13 (0.49) MMP13MMP14CYP3A4ADAMTS4KCNH2
SCHEMBL2155025 0.87 MMP13 (0.57) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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.