SCHEMBL2632703

SCHEMBL2632703

CC(=O)N[C@@H](CCc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CPA1 P15085 5/20 0.61
CPA2 P48052 5/20 0.61
CPA4 Q9UI42 5/20 0.61
ALDH1A1 P00352 1/20 0.57
MME P08473 1/20 0.51
MMP3 P08254 3/20 0.51
MMP2 P08253 3/20 0.51
MMP1 P03956 1/20 0.51
MMP12 P39900 1/20 0.51
MMP13 P45452 1/20 0.51
CTSL P07711 2/20 0.51
CPB1 P15086 1/20 0.51
ACE2 Q9BYF1 1/20 0.51

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
SCHEMBL2632695 0.93 CPA1 (0.62) CPA1CPA2CPA4ALDH1A1MME
SCHEMBL17948648 0.91 CPA1 (0.63) CPA1CPA2CPA4ALDH1A1MME
SCHEMBL2632702 0.90 CPA1 (0.55) CPA1CPA2CPA4ALDH1A1MMP3
SCHEMBL14208695 0.88 CTSL (0.56) CPA1CPA2CPA4ALDH1A1MMP3
SCHEMBL2632731 0.84 CPA1 (0.50) CPA1CPA2CPA4ALDH1A1MMP3
SCHEMBL2632714 0.84 PSMB5 (0.64)
SCHEMBL2633272 0.84 CPA1 (0.56) CPA1CPA2CPA4ALDH1A1MMP3
SCHEMBL21040564 0.84 CPA1 (0.57) CPA1CPA2CPA4ALDH1A1MMP2
SCHEMBL30777486 0.82 MME (0.65) CPA1CPA2CPA4ALDH1A1MME
SCHEMBL15692334 0.82 MME (0.65) CPA1CPA2CPA4ALDH1A1MME

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120101025-A1 Compounds For Enzyme Inhibition ONYX THERAPEUTICS, INC. (US) 2012-04-26 US disclosed
US-20120101026-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

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 CPA1 142/4885CPA2 276/4885CPA4 314/4885
US-20120101026-A1 Compounds For Enzyme Inhibition ANPEP, DNPEP, CPN1 CPA1 161/4885CPA2 264/4885CPA4 321/4885
US-20120101025-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.