SCHEMBL2154777

SCHEMBL2154777

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 4/20 0.46
MMP14 P50281 4/20 0.46
CYP3A4 P08684 3/20 0.46
ADAMTS4 O75173 3/20 0.44
TP53 P04637 1/20 0.43
KCNH2 Q12809 2/20 0.43
POLB P06746 2/20 0.42
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
MMP1 P03956 1/20 0.40
MAPT P10636 1/20 0.40
LMNA P02545 2/20 0.40
HSD11B1 P28845 1/20 0.39
GLA P06280 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 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
SCHEMBL27693798 0.91 MMP13 (0.45) MMP13MMP14CYP3A4ADAMTS4TP53
SCHEMBL2155448 0.89 MMP13 (0.48) MMP13MMP14CYP3A4ADAMTS4TP53
SCHEMBL2155021 0.89 MMP13 (0.48) MMP13MMP14CYP3A4ADAMTS4TP53
SCHEMBL2155174 0.88 MMP13 (0.43) MMP13MMP14CYP3A4ADAMTS4TP53
SCHEMBL2155065 0.88 TP53 (0.46) MMP13MMP14CYP3A4ADAMTS4TP53
SCHEMBL16495459 0.84 MMP13 (0.47) MMP13MMP14CYP3A4ADAMTS4TP53
SCHEMBL27713643 0.81 TP53 (0.44) MMP13MMP14CYP3A4ADAMTS4TP53
SCHEMBL27693800 0.80 MMP13 (0.49) MMP13MMP14CYP3A4ADAMTS4TP53
SCHEMBL2155126 0.79 ATM (0.43) ALDH1A1NPSR1MAPTLMNA
SCHEMBL2155248 0.79 TP53 (0.42) TP53ALDH1A1MAPTLMNA

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 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.