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Sugi Predict / Compounds / SCHEMBL2156908

SCHEMBL2156908

SCHEMBL2156908

CCCCCC#CC(CS(=O)(=O)N1CCCN(c2ccc(C(F)(F)F)cn2)CC1)N(O)C=O

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 2/20 0.56
▸ MMP13 P45452 2/20 0.56
▸ KDM4E B2RXH2 2/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ CXCR3 P49682 8/20 0.44
▸ PKM P14618 2/20 0.43
▸ MMP7 P09237 1/20 0.41
▸ ADAMTS4 O75173 1/20 0.40
▸ MMP14 P50281 1/20 0.40
▸ KCNH2 Q12809 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ F13A1 P00488 1/20 0.39
▸ TGM2 P21980 1/20 0.39
▸ TGM1 P22735 1/20 0.39
▸ POLB P06746 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
SCHEMBL2155277 0.97 CYP3A4 (0.58) CYP3A4MMP13KDM4ECXCR3PKM
SCHEMBL12463857 0.85 CYP3A4 (0.73) CYP3A4MMP13KDM4EL3MBTL1CXCR3
SCHEMBL2154838 0.85 MMP7 (0.45) CYP3A4MMP13KDM4EMMP7ADAMTS4
SCHEMBL2155584 0.85 MMP7 (0.57) CYP3A4MMP13KDM4ECXCR3MMP7
SCHEMBL2155348 0.85 MMP13 (0.50) CYP3A4MMP13KDM4EADAMTS4MMP14
SCHEMBL2156421 0.84 KDM4E (0.49) CYP3A4MMP13KDM4EL3MBTL1CXCR3
SCHEMBL27693726 0.84 KDM4E (0.49) CYP3A4MMP13KDM4EL3MBTL1CXCR3
SCHEMBL2156913 0.82 KDM4E (0.47) CYP3A4MMP13KDM4EL3MBTL1CXCR3
SCHEMBL2155157 0.81 KDM4E (0.52) CYP3A4MMP13KDM4EMMP7ADAMTS4
SCHEMBL2156843 0.81 CYP3A4 (0.49) CYP3A4MMP13KDM4ECXCR3HPGD

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 7 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-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-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 2288/4885KDM4E 1965/4885

“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.