SCHEMBL3143828

SCHEMBL3143828

Cc1ccc(C(=O)NCC(NC(=O)c2cnccn2)C(=O)NC(CC2CCC2)B(O)O)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LONP1 P36776 18/20 0.66
PSMB5 P28074 11/20 0.63
PSMB11 A5LHX3 9/20 0.63
PSMA7 O14818 9/20 0.63
PSMB1 P20618 9/20 0.63
PSMA1 P25786 9/20 0.63
PSMA2 P25787 9/20 0.63
PSMA3 P25788 9/20 0.63
PSMA4 P25789 9/20 0.63
PSMB8 P28062 9/20 0.63
PSMB9 P28065 9/20 0.63
PSMA5 P28066 9/20 0.63
PSMB4 P28070 9/20 0.63
PSMB6 P28072 9/20 0.63
PSMB10 P40306 9/20 0.63
PSMB3 P49720 9/20 0.63
PSMB2 P49721 9/20 0.63
PSMA6 P60900 9/20 0.63
PSMA8 Q8TAA3 9/20 0.63
PSMB7 Q99436 9/20 0.63

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
SCHEMBL19382087 1.00 LONP1 (0.66) LONP1PSMB5PSMB11PSMA7PSMB1
SCHEMBL3143815 1.00 LONP1 (0.66) LONP1PSMB5PSMB11PSMA7PSMB1
SCHEMBL2936754 0.85 LONP1 (0.69) LONP1PSMB5PSMB11PSMA7PSMB1
SCHEMBL3152611 0.81 PSMB5 (0.49) LONP1PSMB5PSMB11PSMA7PSMB1
SCHEMBL3152605 0.81 PSMB5 (0.49) LONP1PSMB5PSMB11PSMA7PSMB1
SCHEMBL3152441 0.80 LONP1 (0.95) LONP1PSMB5PSMB11PSMA7PSMB1
SCHEMBL19381913 0.80 LONP1 (0.95) LONP1PSMB5PSMB11PSMA7PSMB1
SCHEMBL25218642 0.78 PSMB5 (0.73) LONP1PSMB5PSMB11PSMA7PSMB1
SCHEMBL25268847 0.78 PSMB5 (0.73) LONP1PSMB5PSMB11PSMA7PSMB1
SCHEMBL30447782 0.78 PSMB5 (0.73) 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2346882-B1 DERIVATIVES OF 1-AMINO-2-CYCLOBUTYLETHYLBORONIC ACID MILLENNIUM PHARM INC (US) 2017-09-20 EP claimed
US-10035811-B2 Derivatives of 1-amino-2-cyclobutylethylboronic acid MILLENNIUM PHARMACEUTICALS, INC. (US) 2018-07-31 US disclosed
US-20170349611-A1 DERIVATIVES OF 1-AMINO-2-CYCLOBUTYLETHYLBORONIC ACID TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-12-07 US disclosed
US-9771381-B2 Derivatives of 1-amino-2-cyclobutylethylboronic acid MILLENNIUM PHARMACEUTICALS, INC. (US) 2017-09-26 US disclosed
EP-2346882-B1 DERIVATIVES OF 1-AMINO-2-CYCLOBUTYLETHYLBORONIC ACID MILLENNIUM PHARM INC (US) 2017-09-20 EP disclosed
US-20140194387-A1 DERIVATIVES OF 1-AMINO-2-CYCLOBUTYLETHYLBORONIC ACID MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-07-10 US disclosed
US-8664200-B2 Derivatives of 1-amino-2-cyclobutylethylboronic acid MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-03-04 US disclosed
US-20100081633-A1 Derivatives of 1-amino-2-cyclobutylethylboronic acid MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-04-01 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 (4 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-20100081633-A1 Derivatives of 1-amino-2-cyclobutylethylboronic acid PSMB6, PSMB5, PSMB1 LONP1 986/4885PSMB5 2/4885PSMB11 4/4885
US-20140194387-A1 DERIVATIVES OF 1-AMINO-2-CYCLOBUTYLETHYLBORONIC ACID PSMB6, PSMB5, PSMB1 LONP1 986/4885PSMB5 2/4885PSMB11 4/4885
US-10035811-B2 Derivatives of 1-amino-2-cyclobutylethylboronic acid PSMB6, PSMB5, PSMB1 LONP1 986/4885PSMB5 2/4885PSMB11 4/4885
US-20170349611-A1 DERIVATIVES OF 1-AMINO-2-CYCLOBUTYLETHYLBORONIC ACID PSMB6, PSMB5, PSMB1 LONP1 986/4885PSMB5 2/4885PSMB11 4/4885

“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.