SCHEMBL2155173

SCHEMBL2155173

CC(C)(CC#CCN1CCOCC1)C(CS(=O)(=O)N1CCN(c2ccc(F)cc2)CC1)N(O)C=O

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 6/20 0.58
MMP14 P50281 5/20 0.58
CYP3A4 P08684 4/20 0.58
ADAMTS4 O75173 6/20 0.53
KCNH2 Q12809 2/20 0.53
MMP1 P03956 2/20 0.46
MMP2 P08253 1/20 0.40
MMP9 P14780 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.38
LMNA P02545 1/20 0.38
KDM4E B2RXH2 1/20 0.37
HSD11B1 P28845 1/20 0.36
AKR1C3 P42330 1/20 0.35
TP53 P04637 1/20 0.35

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
SCHEMBL5516687 0.95 MMP13 (0.53) MMP13MMP14CYP3A4ADAMTS4KCNH2
SCHEMBL2154774 0.88 MMP13 (0.64) MMP13MMP14CYP3A4ADAMTS4KCNH2
SCHEMBL2155018 0.84 MMP13 (0.66) MMP13MMP14CYP3A4ADAMTS4KCNH2
SCHEMBL2154781 0.83 MMP13 (0.44) MMP13MMP14CYP3A4ADAMTS4KCNH2
SCHEMBL2154850 0.83 MMP13 (0.60) MMP13MMP14CYP3A4ADAMTS4KCNH2
SCHEMBL2155060 0.83 MMP13 (0.60) MMP13MMP14CYP3A4ADAMTS4KCNH2
SCHEMBL2155174 0.82 MMP13 (0.43) MMP13MMP14CYP3A4ADAMTS4KCNH2
SCHEMBL2156213 0.76 MMP13 (0.62) MMP13MMP14CYP3A4ADAMTS4KCNH2
SCHEMBL2156737 0.76 MMP13 (0.46) MMP13MMP14CYP3A4ADAMTS4SMN1; SMN2
SCHEMBL27693800 0.76 MMP13 (0.49) 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 13 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
CN-101124213-A Sulfonylamino cyclic derivatives and uses thereof SERONO LAB (CH) 2008-02-13 CN claimed
EP-1828160-B1 SULFONYL AMINO CYCLIC DERIVATIVES AND USE THEREOF AS MMP INHIBITORS MERCK SERONO SA (CH) 2011-12-14 EP disclosed
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-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
US-20080194520-A1 Sulfonyl Amino Cyclic Derivatives and Use Thereof MERCK SERONO SA (CH) 2008-08-14 US disclosed
CN-101124213-A Sulfonylamino cyclic derivatives and uses thereof SERONO LAB (CH) 2008-02-13 CN 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.