SCHEMBL13201683

SCHEMBL13201683

COc1cccc(NC=C2C(=O)OC(C)(C)OC2=O)c1C

nearest known ligand 0.77

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 18/20 0.77
HSD17B10 Q99714 4/20 0.62
CASP1 P29466 2/20 0.62
CASP7 P55210 2/20 0.62
MAPK1 P28482 1/20 0.58
NPSR1 Q6W5P4 3/20 0.57
HPGD P15428 2/20 0.57
SMN1; SMN2 Q16637 1/20 0.56
TSHR P16473 1/20 0.50
L3MBTL1 Q9Y468 2/20 0.47
KDM4E B2RXH2 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
KMT2A Q03164 1/20 0.45
RAB9A P51151 1/20 0.44

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
SCHEMBL10075563 0.87 ALDH1A1 (1.00) ALDH1A1HSD17B10CASP1CASP7MAPK1
SCHEMBL30736438 0.86 ALDH1A1 (0.77) ALDH1A1HSD17B10CASP1CASP7MAPK1
SCHEMBL19878307 0.85 ALDH1A1 (0.75) ALDH1A1HSD17B10CASP1CASP7MAPK1
SCHEMBL30940173 0.85 ALDH1A1 (0.75) ALDH1A1HSD17B10CASP1CASP7MAPK1
SCHEMBL15010108 0.80 ALDH1A1 (0.58) ALDH1A1HSD17B10CASP1CASP7MAPK1
SCHEMBL24715839 0.78 ALDH1A1 (0.74) ALDH1A1HSD17B10CASP1CASP7MAPK1
SCHEMBL4372343 0.77 ALDH1A1 (0.62) ALDH1A1HSD17B10CASP1CASP7MAPK1
SCHEMBL10158686 0.77 ALDH1A1 (1.00) ALDH1A1HSD17B10CASP1CASP7MAPK1
SCHEMBL9073375 0.77 ALDH1A1 (0.81) ALDH1A1HSD17B10CASP1CASP7MAPK1
SCHEMBL30626621 0.76 ALDH1A1 (0.74) ALDH1A1HSD17B10CASP1CASP7MAPK1

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 8 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-7696242-B2 Hepatitis C inhibitor peptide analogs BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-13 US disclosed
US-7696242-B2 Hepatitis C inhibitor peptide analogs BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-13 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 ALDH1A1 1136/4885HSD17B10 1041/4885CASP1 636/4885

“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.