SCHEMBL2759971

SCHEMBL2759971

CCCCOC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](COC(=O)CCl)NC(C)=O

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
REN P00797 2/20 0.45
CPA1 P15085 1/20 0.44
CPB1 P15086 1/20 0.44
CPA2 P48052 1/20 0.44
CPA4 Q9UI42 1/20 0.44
ACE2 Q9BYF1 1/20 0.44
KISS1R Q969F8 1/20 0.43
CAPN1 P07384 2/20 0.43
TACR1 P25103 1/20 0.43
ALDH1A1 P00352 1/20 0.43
PSMB5 P28074 2/20 0.43
MME P08473 1/20 0.43

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
SCHEMBL2632733 0.90 CPA1 (0.47) RENCPA1CPA2CPA4ALDH1A1
SCHEMBL14208719 0.89 TACR1 (0.53) RENCAPN1TACR1
SCHEMBL10105765 0.87 ALDH1A1 (0.50) RENCPA1CPB1CPA2CPA4
SCHEMBL2633286 0.87 ALDH1A1 (0.50) RENCPA1CPB1CPA2CPA4
SCHEMBL2759973 0.85 PSMB5 (0.54) PSMB5
SCHEMBL9486892 0.81 TACR1 (0.61) TACR1ALDH1A1
SCHEMBL9488064 0.81 TACR1 (0.61) TACR1ALDH1A1
SCHEMBL10105785 0.79 ALDH1A1 (0.57) ALDH1A1PSMB5MME
SCHEMBL92792 0.79 ALDH1A1 (0.50) CAPN1ALDH1A1PSMB5
SCHEMBL14208804 0.79 CTSL (0.52) CPA1CPA2CPA4

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-20120101026-A1 Compounds For Enzyme Inhibition ONYX THERAPEUTICS, INC. (US) 2012-04-26 US disclosed
US-20120101025-A1 Compounds For Enzyme Inhibition ONYX THERAPEUTICS, INC. (US) 2012-04-26 US disclosed
US-8088741-B2 Compounds for enzyme inhibition ONYX THERAPEUTICS, INC. (US) 2012-01-03 US disclosed
US-20080090785-A1 Peptide-based compounds include at least three peptide units, an epoxide or aziridine, and functionalization at the N-terminus inhibit specific activities of N-terminal nucleophile (Ntn) hydrolases, e.g., the chymotrypsin-like activity of the 20S proteasome; antiproliferative and antiinflammatory agents PROTEOLIX, INC. (US) 2008-04-17 US disclosed
WO-2005111008-A2 COMPOUNDS FOR ENZYME INHIBITION PROTEOLIX, INC. (US) 2005-11-24 WO 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 (3 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-20080090785-A1 Peptide-based compounds include at least three peptide units, an epoxide or aziridine, and functionalization at the N-terminus inhibit specific activities of N-terminal nucleophile (Ntn) hydrolases, e.g., the chymotrypsin-like activity of the 20S proteasome; antiproliferative and antiinflammatory agents ANPEP, DNPEP, CPN1 REN 754/4885CPA1 142/4885CPB1 145/4885
US-20120101026-A1 Compounds For Enzyme Inhibition ANPEP, DNPEP, CPN1 REN 600/4885CPA1 161/4885CPB1 85/4885
US-20120101025-A1 Compounds For Enzyme Inhibition ANPEP, DNPEP, CPN1 REN 600/4885CPA1 161/4885CPB1 85/4885

“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.