SCHEMBL2155171

SCHEMBL2155171

O=C(O)NC(C#Cc1cnc2ccccc2c1)CS(=O)(=O)N1CCN(c2ccc(F)cc2)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.43
MMP13 P45452 3/20 0.41
MMP14 P50281 3/20 0.41
CYP3A4 P08684 2/20 0.41
ADAMTS4 O75173 2/20 0.40
KCNH2 Q12809 2/20 0.40
HTR1A P08908 2/20 0.40
LMNA P02545 2/20 0.39
POLB P06746 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
ACACB O00763 1/20 0.38
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
DRD3 P35462 1/20 0.37
AKR1C3 P42330 1/20 0.36
MMP1 P03956 1/20 0.36
KDM6B O15054 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
SCHEMBL2154999 0.91 MMP13 (0.43) TP53MMP13MMP14CYP3A4ADAMTS4
SCHEMBL2155491 0.86 TP53 (0.51) TP53MMP13MMP14CYP3A4LMNA
SCHEMBL2155383 0.86 TP53 (0.51) TP53MMP13MMP14CYP3A4LMNA
SCHEMBL2155492 0.86 TP53 (0.51) TP53MMP13MMP14CYP3A4LMNA
SCHEMBL2156824 0.82 TP53 (0.44) TP53MMP13MMP14CYP3A4ADAMTS4
SCHEMBL2155163 0.82 MMP13 (0.54) TP53MMP13MMP14CYP3A4ADAMTS4
SCHEMBL2156043 0.79 TP53 (0.49) TP53MMP13MMP14CYP3A4LMNA
SCHEMBL2155028 0.78 ALDH1A1 (0.47) TP53MMP13MMP14CYP3A4LMNA
SCHEMBL2155639 0.78 POLB (0.39) TP53MMP13MMP14CYP3A4ADAMTS4
SCHEMBL2154959 0.78 THRB (0.46) 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 8 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-20080194520-A1 Sulfonyl Amino Cyclic Derivatives and Use Thereof MERCK SERONO SA (CH) 2008-08-14 US 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

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 TP53 593/4885MMP13 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.