SCHEMBL3152605

SCHEMBL3152605

Cc1ccc(C(=O)NC[C@H](NC(=O)c2cccc(-c3ccccc3)n2)C(=O)N[C@@H](CC2CCC2)B(O)O)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSMB5 P28074 5/20 0.49
PSMB8 P28062 4/20 0.49
PSMB1 P20618 3/20 0.49
PSMB9 P28065 3/20 0.49
PSMB10 P40306 3/20 0.49
PSMB2 P49721 3/20 0.49
ELANE P08246 1/20 0.49
CTSG P08311 1/20 0.49
CYP3A4 P08684 1/20 0.49
CMA1 P23946 1/20 0.49
LONP1 P36776 3/20 0.46
PSMB11 A5LHX3 2/20 0.46
PSMA7 O14818 2/20 0.46
PSMA1 P25786 2/20 0.46
PSMA2 P25787 2/20 0.46
PSMA3 P25788 2/20 0.46
PSMA4 P25789 2/20 0.46
PSMA5 P28066 2/20 0.46
PSMB4 P28070 2/20 0.46
PSMB6 P28072 2/20 0.46

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
SCHEMBL3152611 1.00 PSMB5 (0.49) PSMB5PSMB8PSMB1PSMB9PSMB10
SCHEMBL2935449 0.86 PSMB5 (0.67) PSMB5PSMB8PSMB1PSMB9PSMB10
SCHEMBL3143828 0.81 LONP1 (0.66) PSMB5PSMB8PSMB1PSMB9PSMB10
SCHEMBL19382087 0.81 LONP1 (0.66) PSMB5PSMB8PSMB1PSMB9PSMB10
SCHEMBL3143815 0.81 LONP1 (0.66) PSMB5PSMB8PSMB1PSMB9PSMB10
SCHEMBL3149176 0.81 PSMB5 (0.75) PSMB5PSMB8PSMB1PSMB9PSMB10
SCHEMBL3149188 0.81 PSMB5 (0.75) PSMB5PSMB8PSMB1PSMB9PSMB10
SCHEMBL2935257 0.77 CNR2 (0.54) PSMB5PSMB8PSMB1PSMB9PSMB10
SCHEMBL13079104 0.76 PSMB5 (0.59) PSMB5PSMB8PSMB1PSMB9PSMB10
SCHEMBL2935254 0.75 CNR2 (0.52) PSMB5PSMB8PSMB1PSMB9PSMB10

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 18 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-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
US-20100081633-A1 Derivatives of 1-amino-2-cyclobutylethylboronic acid MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-04-01 US disclosed
US-20100081633-A1 Derivatives of 1-amino-2-cyclobutylethylboronic acid MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-04-01 US disclosed
WO-2010036357-A1 DERIVATIVES OF 1-AMINO-2-CYCLOBUTYLETHYLBORONIC ACID MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-04-01 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 (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 PSMB5 2/4885PSMB8 27/4885PSMB1 3/4885
US-20140194387-A1 DERIVATIVES OF 1-AMINO-2-CYCLOBUTYLETHYLBORONIC ACID PSMB6, PSMB5, PSMB1 PSMB5 2/4885PSMB8 27/4885PSMB1 3/4885
US-10035811-B2 Derivatives of 1-amino-2-cyclobutylethylboronic acid PSMB6, PSMB5, PSMB1 PSMB5 2/4885PSMB8 27/4885PSMB1 3/4885
US-20170349611-A1 DERIVATIVES OF 1-AMINO-2-CYCLOBUTYLETHYLBORONIC ACID PSMB6, PSMB5, PSMB1 PSMB5 2/4885PSMB8 27/4885PSMB1 3/4885

“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.