SCHEMBL13201745

SCHEMBL13201745

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

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSB P07858 1/20 0.48
PPP3CB P16298 1/20 0.48
CYP3A4 P08684 1/20 0.43
ABCC1 P33527 1/20 0.35
ABCC2 Q92887 1/20 0.35
ABCG2 Q9UNQ0 1/20 0.35
MCL1 Q07820 5/20 0.33
PDE4A P27815 1/20 0.32
PDE4B Q07343 1/20 0.32
PDE4C Q08493 1/20 0.32
PDE4D Q08499 1/20 0.32
P2RX3 P56373 1/20 0.32
UCHL1 P09936 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
SCHEMBL13201741 0.95 CTSB (0.44) CTSBPPP3CBCYP3A4ABCC1ABCC2
SCHEMBL13910644 0.91 CTSB (0.46) CTSBPPP3CBCYP3A4ABCC1ABCC2
SCHEMBL13201771 0.89 CYP3A4 (0.47) CTSBPPP3CBCYP3A4MCL1
SCHEMBL13201747 0.89 CYP3A4 (0.47) CTSBPPP3CBCYP3A4MCL1
SCHEMBL13385195 0.89 CTSB (0.50) CTSBPPP3CBCYP3A4ABCC1ABCC2
SCHEMBL8276180 0.88 CYP3A4 (0.46) CTSBPPP3CBCYP3A4ABCC1ABCC2
SCHEMBL13910642 0.86 CTSB (0.42) CTSBPPP3CBCYP3A4ABCC1ABCC2
SCHEMBL13409508 0.85 CTSB (0.68) CTSBPPP3CBCYP3A4ABCC1ABCC2
SCHEMBL10137248 0.84 CTSB (0.45) CTSBPPP3CBCYP3A4MCL1P2RX3
SCHEMBL13707458 0.84 CTSB (0.45) CTSBPPP3CBCYP3A4MCL1P2RX3

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 5 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

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 CTSB 430/4885PPP3CB 893/4885CYP3A4 1024/4885

“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.