SCHEMBL2126477

SCHEMBL2126477

COC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)c1cnccn1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LONP1 P36776 13/20 0.64
PSMB5 P28074 12/20 0.64
PSMB8 P28062 10/20 0.64
PSMB9 P28065 10/20 0.64
PSMB6 P28072 10/20 0.64
PSMB10 P40306 10/20 0.64
PSMB11 A5LHX3 9/20 0.64
PSMA7 O14818 9/20 0.64
PSMB1 P20618 9/20 0.64
PSMA1 P25786 9/20 0.64
PSMA2 P25787 9/20 0.64
PSMA3 P25788 9/20 0.64
PSMA4 P25789 9/20 0.64
PSMA5 P28066 9/20 0.64
PSMB4 P28070 9/20 0.64
PSMB3 P49720 9/20 0.64
PSMB2 P49721 9/20 0.64
PSMA6 P60900 9/20 0.64
PSMA8 Q8TAA3 9/20 0.64
PSMB7 Q99436 9/20 0.64

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
SCHEMBL2127175 1.00 LONP1 (0.64) LONP1PSMB5PSMB8PSMB9PSMB6
SCHEMBL2126526 0.95 LONP1 (0.70) LONP1PSMB5PSMB8PSMB9PSMB6
SCHEMBL2125371 0.91 CTSL (0.69) LONP1PSMB5PSMB8PSMB9PSMB6
SCHEMBL3083268 0.91 CTSL (0.69) LONP1PSMB5PSMB8PSMB9PSMB6
SCHEMBL2127921 0.90 PSMB5 (0.69) LONP1PSMB5PSMB8PSMB9PSMB6
SCHEMBL2127299 0.90 PSMB5 (0.69) LONP1PSMB5PSMB8PSMB9PSMB6
SCHEMBL1913564 0.88 PSMB5 (0.72) LONP1PSMB5PSMB8PSMB9PSMB6
SCHEMBL2128457 0.88 PSMB5 (0.72) LONP1PSMB5PSMB8PSMB9PSMB6
SCHEMBL2127966 0.88 PSMB5 (0.69) LONP1PSMB5PSMB8PSMB9PSMB6
SCHEMBL9608648 0.85 PSMB5 (0.68) LONP1PSMB5PSMB8PSMB9PSMB6

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
EP-2444411-B1 TRIPEPTIDE BORONIC ACID OR BORONIC ESTER, PREPARATIVE METHOD AND USE THEREOF UNIV BEIJING (CN) 2016-10-26 EP disclosed
US-9421237-B2 Tripeptide boronic acid or boronic ester, preparative method and use thereof PEKING UNIVERSITY (CN) 2016-08-23 US disclosed
US-20120135921-A1 TRIPETIDE BORONIC ACID OR BORONIC ESTER, PREPARATIVE METHOD AND USE THEREOF PEKING UNIVERSITY (CN) 2012-05-31 US disclosed
EP-2444411-A1 TRIPEPTIDE BORONIC ACID OR BORONIC ESTER, PREPARATIVE METHOD AND USE THEREOF Peking University (CN) 2012-04-25 EP 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 (1 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-20120135921-A1 TRIPETIDE BORONIC ACID OR BORONIC ESTER, PREPARATIVE METHOD AND USE THEREOF BTD, PSMB11, IAPP LONP1 274/4885PSMB5 12/4885PSMB8 29/4885

“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.