SCHEMBL9607087

SCHEMBL9607087

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

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LONP1 P36776 4/20 0.55
PSMB5 P28074 3/20 0.55
PSMB11 A5LHX3 2/20 0.55
PSMA7 O14818 2/20 0.55
PSMB1 P20618 2/20 0.55
PSMA1 P25786 2/20 0.55
PSMA2 P25787 2/20 0.55
PSMA3 P25788 2/20 0.55
PSMA4 P25789 2/20 0.55
PSMB8 P28062 2/20 0.55
PSMB9 P28065 2/20 0.55
PSMA5 P28066 2/20 0.55
PSMB4 P28070 2/20 0.55
PSMB6 P28072 2/20 0.55
PSMB10 P40306 2/20 0.55
PSMB3 P49720 2/20 0.55
PSMB2 P49721 2/20 0.55
PSMA6 P60900 2/20 0.55
PSMA8 Q8TAA3 2/20 0.55
PSMB7 Q99436 2/20 0.55

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
SCHEMBL6571490 0.86 LONP1 (0.56) LONP1PSMB5PSMB11PSMA7PSMB1
SCHEMBL9911459 0.85 SMN1; SMN2 (0.56) LONP1PSMB5PSMB11PSMA7PSMB1
SCHEMBL29420556 0.85 SMN1; SMN2 (0.56) LONP1PSMB5PSMB11PSMA7PSMB1
SCHEMBL27890664 0.84 LONP1 (0.58) LONP1PSMB5PSMB11PSMA7PSMB1
SCHEMBL13127955 0.84 LONP1 (0.58) LONP1PSMB5PSMB11PSMA7PSMB1
SCHEMBL9607089 0.84 LONP1 (0.58) LONP1PSMB5PSMB11PSMA7PSMB1
Hydrochloric Acid SCHEMBL27788898 0.83 SMN1; SMN2 (0.55) LONP1PSMB5PSMB11PSMA7PSMB1
SCHEMBL28159463 0.82 KDM4E (0.51) LONP1PSMB5PSMB11PSMA7PSMB1
SCHEMBL2127712 0.81 PSMB5 (0.63) LONP1PSMB5PSMB11PSMA7PSMB1
SCHEMBL446669 0.80 LONP1 (0.62) LONP1PSMB5PSMB11PSMA7PSMB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120135921-A1 TRIPETIDE BORONIC ACID OR BORONIC ESTER, PREPARATIVE METHOD AND USE THEREOF PEKING UNIVERSITY (CN) 2012-05-31 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 (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 12/4885PSMB11 2/4885

“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.