SCHEMBL13201771

SCHEMBL13201771

C=CC1C[C@]1(NC(=O)[C@@H]1C[C@@H](Oc2cc(OCC)nc3c(C)c(OC)ccc23)CN1C(=O)OC(C)(C)C)C(=O)NS(=O)(=O)C1(C)CC1

nearest known ligand 0.47

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.47
CTSB P07858 1/20 0.40
PPP3CB P16298 1/20 0.40
MCL1 Q07820 3/20 0.33

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
SCHEMBL13201747 1.00 CYP3A4 (0.47) CYP3A4CTSBPPP3CBMCL1
SCHEMBL13219488 0.92 CYP3A4 (0.41) CYP3A4CTSBPPP3CB
SCHEMBL13201751 0.91 CYP3A4 (0.47) CYP3A4CTSBPPP3CB
SCHEMBL13201772 0.90 CYP3A4 (0.45) CYP3A4CTSBPPP3CB
SCHEMBL13201745 0.89 CTSB (0.48) CYP3A4CTSBPPP3CBMCL1
SCHEMBL13201741 0.89 CTSB (0.44) CYP3A4CTSBPPP3CBMCL1
SCHEMBL13385203 0.89 CYP3A4 (0.42) CYP3A4CTSBPPP3CBMCL1
SCHEMBL13910766 0.88 CYP3A4 (0.43) CYP3A4CTSBPPP3CB
SCHEMBL8277280 0.86 CTSB (0.49) CYP3A4CTSBPPP3CB
SCHEMBL13365333 0.85 CYP3A4 (0.44) CYP3A4CTSBPPP3CBMCL1

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
US-7767818-B2 Hepatitis C inhibitor dipeptide analogs BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-08-03 US disclosed
US-7767818-B2 Hepatitis C inhibitor dipeptide analogs BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-08-03 US disclosed
US-20090156822-A1 Hepatitis C Inhibitor Dipeptide Analogs BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-06-18 US disclosed
US-20090156822-A1 Hepatitis C Inhibitor Dipeptide Analogs BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-06-18 US disclosed
US-7511157-B2 racemic mixtures, stereoisomers or optical isomers, useful as protease inhibitors; viricides BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-03-31 US disclosed
US-7511157-B2 racemic mixtures, stereoisomers or optical isomers, useful as protease inhibitors; viricides BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-03-31 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-20090156822-A1 Hepatitis C Inhibitor Dipeptide Analogs DPP3, CTSC, ANPEP CYP3A4 1024/4885CTSB 430/4885PPP3CB 893/4885

“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.