SCHEMBL2155353

SCHEMBL2155353

CCCCCC#CC(CS(=O)(=O)N1CCN(c2ccc(C(F)(F)F)cc2)CC1)C(=O)NO

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.43
THRB P10828 1/20 0.43
MMP2 P08253 4/20 0.40
MMP9 P14780 3/20 0.40
EPHX2 P34913 3/20 0.39
POLB P06746 1/20 0.39
MMP13 P45452 3/20 0.38
MMP3 P08254 1/20 0.38
MMP8 P22894 1/20 0.38
DRD2 P14416 1/20 0.38
DRD4 P21917 1/20 0.38
KDM4E B2RXH2 1/20 0.37
CYP3A4 P08684 1/20 0.36
MMP14 P50281 1/20 0.36
CA2 P00918 3/20 0.36
CA1 P00915 2/20 0.36
CA7 P43166 2/20 0.36
CA9 Q16790 2/20 0.36
CA12 O43570 1/20 0.36
LMNA P02545 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
SCHEMBL27693739 0.89 TP53 (0.42) TP53THRBEPHX2POLBMMP13
SCHEMBL2154925 0.88 KMT2A (0.41) TP53THRBPOLBKDM4ELMNA
SCHEMBL2155282 0.87 CYP3A4 (0.48) MMP13KDM4ECYP3A4MAPT
SCHEMBL2154953 0.86 TP53 (0.44) TP53THRBMMP9POLBMMP13
SCHEMBL2155534 0.86 TP53 (0.43) TP53THRBMMP2MMP9EPHX2
SCHEMBL2156913 0.84 KDM4E (0.47) POLBMMP13KDM4ECYP3A4MAPT
SCHEMBL2155701 0.84 MMP13 (0.41) TP53THRBMMP2MMP9POLB
SCHEMBL2156547 0.84 TP53 (0.43) TP53THRBEPHX2POLBMMP13
SCHEMBL2155592 0.81 TP53 (0.43) TP53THRBMMP2MMP9MMP13
SCHEMBL2155269 0.81 TP53 (0.41) TP53THRBMMP2MMP9MMP13

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
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
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

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 593/4885THRB 2589/4885MMP2 2269/4885

“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.