SCHEMBL2632708

SCHEMBL2632708

Cc1ccc(CCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc2ccccc2)C(=O)O)cc1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ACE P12821 3/20 0.55
MMP2 P08253 1/20 0.55
MMP7 P09237 1/20 0.55
MMP9 P14780 1/20 0.55
MMP12 P39900 1/20 0.55
MMP13 P45452 1/20 0.55
MME P08473 3/20 0.54
CPA1 P15085 1/20 0.54
ACE2 Q9BYF1 1/20 0.54
PSMB5 P28074 3/20 0.54
PSMB8 P28062 1/20 0.54
PSMB10 P40306 1/20 0.54
PSMB2 P49721 1/20 0.54
ITGB3 P05106 1/20 0.52
ITGA2B P08514 1/20 0.52
CTSL P07711 1/20 0.51
CTSK P43235 1/20 0.51
CTSB P07858 1/20 0.49

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
SCHEMBL15692341 0.85 PSMB5 (0.69) ACEMMP2MMP7MMP9MMP12
SCHEMBL2735630 0.84 PSMB5 (0.72) PSMB5PSMB8PSMB10PSMB2CTSB
SCHEMBL1709179 0.84 PSMB5 (0.72) PSMB5PSMB8PSMB10PSMB2CTSB
SCHEMBL18875004 0.84 PSMB5 (0.72) PSMB5PSMB8PSMB10PSMB2CTSB
SCHEMBL12957256 0.83 PSMB5 (0.62) ACEMMP2MMP7MMP9MMP12
SCHEMBL8078351 0.83 MME (0.58) ACEMME
SCHEMBL7272374 0.83 MME (0.58) ACEMME
SCHEMBL19292528 0.82 ACE (0.70) ACEMMP2MMP7MMP9MMP12
SCHEMBL17996007 0.82 ACE (0.70) ACEMMP2MMP7MMP9MMP12
SCHEMBL15692369 0.82 PSMB5 (0.68) ACEMMP2MMP7MMP9MMP12

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 6 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
EP-2030981-A1 Compounds for proteasome enzyme inhibition Proteolix, Inc. (US) 2009-03-04 EP 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 ACE 484/4885MMP2 270/4885MMP7 985/4885
US-20120101026-A1 Compounds For Enzyme Inhibition ANPEP, DNPEP, CPN1 ACE 301/4885MMP2 211/4885MMP7 624/4885
US-20120101025-A1 Compounds For Enzyme Inhibition ANPEP, DNPEP, CPN1 ACE 301/4885MMP2 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.