SCHEMBL2632716

SCHEMBL2632716

CC(=O)N[C@@H](CCc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)O)[C@@H](C)CC(C)(C)[Si](O)(c1ccccc1)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CPA1 P15085 4/20 0.49
CPA2 P48052 4/20 0.49
CPA4 Q9UI42 4/20 0.49
MMP2 P08253 4/20 0.43
MMP1 P03956 1/20 0.43
MMP12 P39900 1/20 0.43
MMP13 P45452 1/20 0.43
ALDH1A1 P00352 1/20 0.42
CTSL P07711 1/20 0.41
CTSB P07858 1/20 0.41
MMP3 P08254 5/20 0.41
CPB1 P15086 1/20 0.41
ACE2 Q9BYF1 1/20 0.41
ANPEP P15144 1/20 0.41
MMP8 P22894 2/20 0.41
PSMB5 P28074 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP3A5 P20815 1/20 0.40
CYP3A7 P24462 1/20 0.40
CYP3A43 Q9HB55 1/20 0.40

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
SCHEMBL2632699 0.88 CPA1 (0.41) CPA1CPA2CPA4MMP2MMP1
SCHEMBL8271197 0.85 CTRL (0.44) CTSBPSMB5CYP3A4CYP3A5CYP3A7
SCHEMBL10105751 0.82 CPA1 (0.47) CPA1CPA2CPA4MMP2MMP1
SCHEMBL2735642 0.80 CPA1 (0.49) CPA1CPA2CPA4MMP2MMP1
SCHEMBL2633292 0.80 GNPAT (0.48) CPA1CPA2CPA4MMP2MMP12
SCHEMBL2632695 0.78 CPA1 (0.62) CPA1CPA2CPA4MMP2MMP1
SCHEMBL2632703 0.76 CPA1 (0.61) CPA1CPA2CPA4MMP2MMP1
SCHEMBL17948648 0.76 CPA1 (0.63) CPA1CPA2CPA4MMP2MMP12
SCHEMBL2735644 0.74 CTSL (0.47) CPA1CPA2CPA4MMP1CTSL
SCHEMBL2735610 0.74 PSMB5 (0.52) 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 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.