SCHEMBL2155282

SCHEMBL2155282

CCCCCC#CC(CS(=O)(=O)N1CCN(c2ccc(C(F)(F)F)cn2)CC1)C(=O)NO

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.48
MMP13 P45452 1/20 0.48
CXCR3 P49682 10/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
HPGD P15428 1/20 0.44
F13A1 P00488 1/20 0.44
TGM2 P21980 1/20 0.44
TGM1 P22735 1/20 0.44
MAPT P10636 4/20 0.43
KDM4E B2RXH2 2/20 0.43
GAA P10253 1/20 0.43
ALDH1A1 P00352 1/20 0.42
PKM P14618 1/20 0.42

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
SCHEMBL2156913 0.97 KDM4E (0.47) CYP3A4MMP13CXCR3SMN1; SMN2HPGD
SCHEMBL27713622 0.90 CYP3A4 (0.47) CYP3A4MMP13CXCR3SMN1; SMN2HPGD
SCHEMBL2156843 0.87 CYP3A4 (0.49) CYP3A4MMP13CXCR3SMN1; SMN2HPGD
SCHEMBL2155353 0.87 TP53 (0.43) CYP3A4MMP13MAPTKDM4E
SCHEMBL27693726 0.87 KDM4E (0.49) CYP3A4MMP13CXCR3SMN1; SMN2HPGD
SCHEMBL2156421 0.85 KDM4E (0.49) CYP3A4MMP13CXCR3SMN1; SMN2HPGD
SCHEMBL2155160 0.84 KDM4E (0.53) HPGDF13A1TGM2TGM1MAPT
SCHEMBL2155277 0.81 CYP3A4 (0.58) CYP3A4MMP13CXCR3SMN1; SMN2HPGD
SCHEMBL16495543 0.81 PANK3 (0.40) MAPTKDM4EALDH1A1
SCHEMBL5507351 0.81 CXCR3 (0.53) CYP3A4MMP13CXCR3SMN1; SMN2HPGD

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 6 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

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 2288/4885CXCR3 242/4885

“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.