SCHEMBL14613751

SCHEMBL14613751

CC(C)[C@H](N)CN(C)S(C)(=O)=O

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 2/20 0.36
MMP2 P08253 2/20 0.36
MMP8 P22894 2/20 0.36
MMP13 P45452 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA4 P22748 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
PER2 O15055 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CRY1 Q16526 1/20 0.33
CRY2 Q49AN0 1/20 0.33
MMP3 P08254 1/20 0.31

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
SCHEMBL4574002 0.76 MEN1 (0.34) MMP1MMP2MMP8MMP13MEN1
SCHEMBL8089410 0.76 MEN1 (0.34) MMP1MMP2MMP8MMP13MEN1
SCHEMBL6755694 0.75 MMP1 (0.43) MMP1MMP2MMP8MMP13MEN1
SCHEMBL13272873 0.74
SCHEMBL1831995 0.73 MMP1 (0.36) MMP1MMP2MMP8MMP13MEN1
SCHEMBL1831392 0.73 MMP1 (0.36) MMP1MMP2MMP8MMP13MEN1
SCHEMBL10510602 0.71 MEN1 (0.43) MMP1MMP2MMP8MMP13MEN1
SCHEMBL18312607 0.71 MEN1 (0.43) MMP1MMP2MMP8MMP13MEN1
SCHEMBL15491270 0.71 MMP1 (0.35) MMP1MMP2MMP8MMP13MEN1
SCHEMBL18881187 0.71 MMP1 (0.35) MMP1MMP2MMP8MMP13MEN1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070032434-A1 used for the treatment or prevention of HCV or amelioration the symptoms of hepatitis C infection, by modulating the interaction of an HCV polypeptide with HCV proteases SCHERING CORPORATION 2007-02-08 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-20070032434-A1 used for the treatment or prevention of HCV or amelioration the symptoms of hepatitis C infection, by modulating the interaction of an HCV polypeptide with HCV proteases HAVCR2, ENPEP, SERPINB1 MMP1 475/4885MMP2 169/4885MMP8 122/4885

“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.