SCHEMBL3149386

SCHEMBL3149386

O=C(N[C@@H](CC1CCC1)B(O)O)[C@H](Cc1ccccc1)NS(=O)(=O)c1cc(Cl)ccc1Cl

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSMB5 P28074 13/20 0.72
HTT P42858 1/20 0.51
MMP2 P08253 2/20 0.50
MMP1 P03956 1/20 0.50
MMP9 P14780 1/20 0.50
MMP8 P22894 1/20 0.50
PSMB1 P20618 2/20 0.49
PSMB2 P49721 2/20 0.49
PSMB11 A5LHX3 1/20 0.49
PSMA7 O14818 1/20 0.49
PSMA1 P25786 1/20 0.49
PSMA2 P25787 1/20 0.49
PSMA3 P25788 1/20 0.49
PSMA4 P25789 1/20 0.49
PSMB8 P28062 1/20 0.49
PSMB9 P28065 1/20 0.49
PSMA5 P28066 1/20 0.49
PSMB4 P28070 1/20 0.49
PSMB6 P28072 1/20 0.49
LONP1 P36776 1/20 0.49

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
SCHEMBL19387845 0.91 PSMB5 (0.70) PSMB5HTTMMP2MMP1MMP9
SCHEMBL19381920 0.86 PSMB5 (0.57) PSMB5HTTMMP2MMP1MMP9
SCHEMBL3149025 0.84 PSMB5 (0.51) PSMB5PSMB1PSMB2PSMB11PSMA7
SCHEMBL28826809 0.84 PSMB5 (1.00) PSMB5MMP2MMP1MMP9MMP8
SCHEMBL29755775 0.84 PSMB5 (1.00) PSMB5MMP2MMP1MMP9MMP8
SCHEMBL7923798 0.83 PSMB5 (0.70) PSMB5PSMB1PSMB2PSMB11PSMA7
SCHEMBL3149205 0.83 PSMB5 (0.70) PSMB5PSMB1PSMB2PSMB11PSMA7
SCHEMBL3134786 0.81 TP53 (0.50) PSMB5PSMB1PSMB2PSMB11PSMA7
SCHEMBL3148972 0.80 NPY5R (0.56) PSMB5PSMB1PSMB2PSMB11PSMA7
SCHEMBL2505810 0.79 PSMB5 (0.73) PSMB5PSMB1PSMB2PSMB11PSMA7

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 17 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
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 2/4885HTT 172/4885MMP2 4508/4885
US-20140194387-A1 DERIVATIVES OF 1-AMINO-2-CYCLOBUTYLETHYLBORONIC ACID PSMB6, PSMB5, PSMB1 PSMB5 2/4885HTT 172/4885MMP2 4508/4885
US-10035811-B2 Derivatives of 1-amino-2-cyclobutylethylboronic acid PSMB6, PSMB5, PSMB1 PSMB5 2/4885HTT 172/4885MMP2 4508/4885
US-20170349611-A1 DERIVATIVES OF 1-AMINO-2-CYCLOBUTYLETHYLBORONIC ACID PSMB6, PSMB5, PSMB1 PSMB5 2/4885HTT 172/4885MMP2 4508/4885

“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.