SCHEMBL10137355

SCHEMBL10137355

CC(C)[C@@H](C)OC(=O)N[C@H](C(=O)O)C(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.36
CA1 P00915 1/20 0.33
CA7 P43166 1/20 0.33
CNR2 P34972 1/20 0.32
HTT P42858 1/20 0.32
FOLH1 Q04609 6/20 0.31
CTSS P25774 1/20 0.31
CTSK P43235 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
SCHEMBL7441185 0.86 HTT (0.42) CA2CA1CA7HTTFOLH1
SCHEMBL14479851 0.79 CA2 (0.40) CA2CA1CA7CNR2CTSS
SCHEMBL6418 0.79 CA2 (0.40) CA2CA1CA7CNR2CTSS
SCHEMBL192054 0.79 CA2 (0.40) CA2CA1CA7CNR2CTSS
SCHEMBL90052 0.76 CA2 (0.50) CA2CA1CA7CTSSCTSK
SCHEMBL57432 0.76 CA2 (0.50) CA2CA1CA7CTSSCTSK
SCHEMBL83699 0.76 CA2 (0.50) CA2CA1CA7CTSSCTSK
SCHEMBL17032847 0.74 TSHR (0.36) CA2CA1CA7HTTCTSK
SCHEMBL10137318 0.74 SMN1; SMN2 (0.45) CA2CA1CA7CNR2HTT
SCHEMBL8300168 0.73 ATM (0.41) CA2HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120269769-A1 Hepatitis C Inhibitor Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-10-25 US disclosed
US-20120269769-A1 Hepatitis C Inhibitor Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-10-25 US disclosed
US-20120034187-A1 Hepatitis C Inhibitor Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-02-09 US disclosed
US-20120034187-A1 Hepatitis C Inhibitor Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-02-09 US disclosed
US-8067438-B2 Hepatitis C inhibitor compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-11-29 US disclosed
US-8067438-B2 Hepatitis C inhibitor compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-11-29 US disclosed
US-20110177030-A1 Hepatitis C Inhibitor Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-07-21 US disclosed
US-20110177030-A1 Hepatitis C Inhibitor Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-07-21 US disclosed
US-7939667-B2 Hepatitis C inhibitor compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-05-10 US disclosed
US-7939667-B2 Hepatitis C inhibitor compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-05-10 US disclosed
US-7585845-B2 Hepatitis C inhibitor compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-09-08 US disclosed
US-7585845-B2 Hepatitis C inhibitor compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-09-08 US disclosed
US-20070243166-A1 Hepatitis C Inhibitor Compounds LLINAS-BRUNET MONTSE 2007-10-18 US disclosed
US-20070243166-A1 Hepatitis C Inhibitor Compounds LLINAS-BRUNET MONTSE 2007-10-18 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 (4 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-20120269769-A1 Hepatitis C Inhibitor Compounds HAVCR2, CTRL, CTRC CA2 4311/4885CA1 4003/4885CA7 3683/4885
US-20070243166-A1 Hepatitis C Inhibitor Compounds HAVCR2, CTRL, CTRC CA2 4311/4885CA1 4003/4885CA7 3683/4885
US-20120034187-A1 Hepatitis C Inhibitor Compounds HAVCR2, CTRL, CTRC CA2 4311/4885CA1 4003/4885CA7 3683/4885
US-20110177030-A1 Hepatitis C Inhibitor Compounds HAVCR2, CTRL, CTRC CA2 4311/4885CA1 4003/4885CA7 3683/4885

“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.