SCHEMBL2633292

SCHEMBL2633292

CC(=O)N[C@@H](CCC(C)(C)[Si](O)(c1ccccc1)c1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GNPAT O15228 1/20 0.48
MMP2 P08253 1/20 0.48
MMP7 P09237 1/20 0.48
MMP9 P14780 1/20 0.48
MMP12 P39900 1/20 0.48
MMP13 P45452 1/20 0.48
CPA1 P15085 4/20 0.48
CPA2 P48052 3/20 0.48
CPA4 Q9UI42 3/20 0.48
ACE2 Q9BYF1 2/20 0.48
CPB1 P15086 1/20 0.48
MME P08473 3/20 0.47
ACE P12821 1/20 0.45
ALDH1A1 P00352 1/20 0.45
KISS1R Q969F8 1/20 0.45

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
SCHEMBL2633304 0.87 REN (0.43) GNPATCPA1CPA2CPA4ACE2
SCHEMBL14232442 0.87 REN (0.43) GNPATCPA1CPA2CPA4ACE2
SCHEMBL10105751 0.85 CPA1 (0.47) MMP2MMP12MMP13CPA1CPA2
SCHEMBL2633287 0.85 PSMB5 (0.52)
SCHEMBL10105787 0.84 PSMB5 (0.46)
SCHEMBL30777486 0.83 MME (0.65) GNPATMMP2MMP7MMP9MMP12
SCHEMBL15692334 0.83 MME (0.65) GNPATMMP2MMP7MMP9MMP12
SCHEMBL19546018 0.82 GNPAT (0.43) GNPATCPA1CPA2CPA4ACE2
SCHEMBL17948648 0.81 CPA1 (0.63) GNPATMMP2MMP7MMP9MMP12
SCHEMBL2632716 0.80 CPA1 (0.49) MMP2MMP12MMP13CPA1CPA2

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-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-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 GNPAT 4257/4885MMP2 270/4885MMP7 985/4885
US-20120101026-A1 Compounds For Enzyme Inhibition ANPEP, DNPEP, CPN1 GNPAT 3488/4885MMP2 211/4885MMP7 624/4885
US-20120101025-A1 Compounds For Enzyme Inhibition ANPEP, DNPEP, CPN1 GNPAT 3488/4885MMP2 211/4885MMP7 624/4885

“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.