SCHEMBL2633272

SCHEMBL2633272

COC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCc1ccccc1)NC(C)=O)C(=O)OC

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CPA1 P15085 2/20 0.56
CPA2 P48052 2/20 0.56
CPA4 Q9UI42 2/20 0.56
CA12 O43570 1/20 0.53
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
CA3 P07451 1/20 0.53
CA4 P22748 1/20 0.53
CA6 P23280 1/20 0.53
CA5A P35218 1/20 0.53
CA7 P43166 1/20 0.53
CACNA1C Q13936 1/20 0.53
SCN9A Q15858 1/20 0.53
CA9 Q16790 1/20 0.53
CA13 Q8N1Q1 1/20 0.53
CA14 Q9ULX7 1/20 0.53
CA5B Q9Y2D0 1/20 0.53
ALDH1A1 P00352 1/20 0.52
CTSL P07711 3/20 0.52
BIRC2 Q13490 1/20 0.50

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
SCHEMBL2632702 0.92 CPA1 (0.55) CPA1CPA2CPA4ALDH1A1CTSL
SCHEMBL2633273 0.86 CTSL (0.51) CTSLBIRC2CAPN1MMP3
SCHEMBL2632695 0.86 CPA1 (0.62) CPA1CPA2CPA4ALDH1A1MMP12
SCHEMBL2735610 0.85 PSMB5 (0.52) CPA1CPA2CPA4ALDH1A1CTSL
SCHEMBL8972583 0.84 ALDH1A1 (0.64) CPA1CPA2CPA4ALDH1A1BIRC2
SCHEMBL12563719 0.84 ALDH1A1 (0.64) CPA1CPA2CPA4ALDH1A1BIRC2
SCHEMBL2735640 0.84 CTSL (0.55) CPA1CPA2CPA4CTSLMMP3
SCHEMBL2632703 0.84 CPA1 (0.61) CPA1CPA2CPA4ALDH1A1CTSL
SCHEMBL17948648 0.84 CPA1 (0.63) CPA1CPA2CPA4ALDH1A1TMPRSS11D
SCHEMBL14208695 0.84 CTSL (0.56) CPA1CPA2CPA4ALDH1A1CTSL

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-20120101026-A1 Compounds For Enzyme Inhibition ONYX THERAPEUTICS, INC. (US) 2012-04-26 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-20120101026-A1 Compounds For Enzyme Inhibition ANPEP, DNPEP, CPN1 CPA1 161/4885CPA2 264/4885CPA4 321/4885

“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.