SCHEMBL3152441

SCHEMBL3152441

O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC1CCC1)B(O)O)c1cnccn1

nearest known ligand 0.95

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LONP1 P36776 15/20 0.95
PSMB5 P28074 13/20 0.95
PSMB8 P28062 11/20 0.95
PSMB9 P28065 11/20 0.95
PSMB6 P28072 11/20 0.95
PSMB10 P40306 11/20 0.95
PSMB11 A5LHX3 10/20 0.95
PSMA7 O14818 10/20 0.95
PSMB1 P20618 10/20 0.95
PSMA1 P25786 10/20 0.95
PSMA2 P25787 10/20 0.95
PSMA3 P25788 10/20 0.95
PSMA4 P25789 10/20 0.95
PSMA5 P28066 10/20 0.95
PSMB4 P28070 10/20 0.95
PSMB3 P49720 10/20 0.95
PSMB2 P49721 10/20 0.95
PSMA6 P60900 10/20 0.95
PSMA8 Q8TAA3 10/20 0.95
PSMB7 Q99436 10/20 0.95

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
SCHEMBL19381913 1.00 LONP1 (0.95) LONP1PSMB5PSMB8PSMB9PSMB6
SCHEMBL2506640 0.96 LONP1 (0.91) LONP1PSMB5PSMB8PSMB9PSMB6
SCHEMBL21652544 0.84 LONP1 (0.86) LONP1PSMB5PSMB8PSMB9PSMB6
SCHEMBL13380944 0.83 PSMB5 (0.67) LONP1PSMB5PSMB8PSMB9PSMB6
Bortezomib SCHEMBL192129 0.83 PSMB5 (1.00) LONP1PSMB5PSMB8PSMB9PSMB6
Bortezomib SCHEMBL8049740 0.83 PSMB5 (1.00) LONP1PSMB5PSMB8PSMB9PSMB6
Bortezomib SCHEMBL8099424 0.83 PSMB5 (1.00) LONP1PSMB5PSMB8PSMB9PSMB6
Bortezomib SCHEMBL466239 0.83 PSMB5 (1.00) LONP1PSMB5PSMB8PSMB9PSMB6
Bortezomib SCHEMBL30316729 0.83 PSMB5 (1.00) LONP1PSMB5PSMB8PSMB9PSMB6
Bortezomib SCHEMBL3676 0.83 PSMB5 (1.00) 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 14 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-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-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
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
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-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-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 2/4885PSMB8 27/4885
US-20140194387-A1 DERIVATIVES OF 1-AMINO-2-CYCLOBUTYLETHYLBORONIC ACID PSMB6, PSMB5, PSMB1 LONP1 986/4885PSMB5 2/4885PSMB8 27/4885
US-10035811-B2 Derivatives of 1-amino-2-cyclobutylethylboronic acid PSMB6, PSMB5, PSMB1 LONP1 986/4885PSMB5 2/4885PSMB8 27/4885
US-20170349611-A1 DERIVATIVES OF 1-AMINO-2-CYCLOBUTYLETHYLBORONIC ACID PSMB6, PSMB5, PSMB1 LONP1 986/4885PSMB5 2/4885PSMB8 27/4885

“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.