SCHEMBL2344285

SCHEMBL2344285

CC(C)C[C@H](N)OBO.O=C(N[C@@H](Cc1ccccc1)C(=O)O)c1cnccn1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSMB5 P28074 16/20 0.60
LONP1 P36776 11/20 0.60
PSMB8 P28062 10/20 0.60
PSMB9 P28065 10/20 0.60
PSMB6 P28072 10/20 0.60
PSMB10 P40306 10/20 0.60
PSMB11 A5LHX3 9/20 0.60
PSMA7 O14818 9/20 0.60
PSMB1 P20618 9/20 0.60
PSMA1 P25786 9/20 0.60
PSMA2 P25787 9/20 0.60
PSMA3 P25788 9/20 0.60
PSMA4 P25789 9/20 0.60
PSMA5 P28066 9/20 0.60
PSMB4 P28070 9/20 0.60
PSMB3 P49720 9/20 0.60
PSMB2 P49721 9/20 0.60
PSMA6 P60900 9/20 0.60
PSMA8 Q8TAA3 9/20 0.60
PSMB7 Q99436 9/20 0.60

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
Leucine SCHEMBL2336540 0.88 PSMB5 (0.63) PSMB5LONP1PSMB8PSMB9PSMB6
D-Leucine SCHEMBL2338392 0.88 PSMB5 (0.63) PSMB5LONP1PSMB8PSMB9PSMB6
Leucine SCHEMBL21955431 0.88 PSMB5 (0.63) PSMB5LONP1PSMB8PSMB9PSMB6
Leucine SCHEMBL1041561 0.88 PSMB5 (0.63) PSMB5LONP1PSMB8PSMB9PSMB6
SCHEMBL20496418 0.87 PSMB5 (0.58) PSMB5LONP1PSMB8PSMB9PSMB6
Leucine SCHEMBL1406108 0.86 PSMB5 (0.66) PSMB5LONP1PSMB8PSMB9PSMB6
Leucine SCHEMBL19712512 0.86 PSMB5 (0.66) PSMB5LONP1PSMB8PSMB9PSMB6
SCHEMBL3202113 0.86 GPR132 (0.53) PSMB5GPR132
SCHEMBL6760909 0.84 PSMB5 (0.69) PSMB5LONP1PSMB8PSMB9PSMB6
Leucine SCHEMBL2931152 0.84 PSMB5 (0.68) PSMB5LONP1PSMB8PSMB9PSMB6

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 38 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4008721-B1 SYNTHESIS OF BORONIC ESTER AND ACID COMPOUNDS MILLENNIUM PHARM INC (US) 2024-01-03 EP disclosed
US-11667654-B2 Process for the preparation of boronic acid esters FRESENIUS KABI ONCOLOGY LTD. (IN) 2023-06-06 US disclosed
US-20220204558-A1 SYNTHESIS OF BORONIC ESTER AND ACID COMPOUNDS MILLENNIUM PHARM INC (US) 2022-06-30 US disclosed
EP-4008721-A1 SYNTHESIS OF BORONIC ESTER AND ACID COMPOUNDS Millennium Pharmaceuticals, Inc. (US) 2022-06-08 EP disclosed
US-20210395301-A1 SYNTHESIS OF BORONIC ESTER AND ACID COMPOUNDS MILLENNIUM PHARM INC (US) 2021-12-23 US disclosed
EP-3385267-B1 SYNTHESIS OF BORONIC ESTER AND ACID COMPOUNDS MILLENNIUM PHARM INC (US) 2021-09-29 EP disclosed
US-20210171574-A1 SYNTHESIS OF BORONIC ESTER AND ACID COMPOUNDS MILLENNIUM PHARM INC (US) 2021-06-10 US disclosed
US-20200369722-A1 SYNTHESIS OF BORONIC ESTER AND ACID COMPOUNDS MILLENNIUM PHARM INC (US) 2020-11-26 US disclosed
US-20200157143-A1 SYNTHESIS OF BORONIC ESTER AND ACID COMPOUNDS MILLENNIUM PHARM INC (US) 2020-05-21 US disclosed
US-20200031850-A1 AN IMPROVED PROCESS FOR THE PREPARATION OF BORONIC ACID ESTERS FRESENIUS KABI ONCOLOGY LIMITED (IN) 2020-01-30 US disclosed
WO-2009004350-A1 METHODS FOR PREPARING BORTEZOMIB AND INTERMEDIATES USED IN ITS MANUFACTURE PLIVA HRVATSKA D.O.O. (HR) 2009-01-08 WO disclosed
EP-1756121-A2 SYNTHESIS OF BORONIC ESTER AND ACID COMPOUNDS MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-02-28 EP disclosed
US-7109323-B2 lyophilization of an aqueous mixture comprising a boronic add compound and a compound having at least two hydroxyl groups produces a stable composition that readily releases the boronic acid compound upon dissolution in aqueous media THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2006-09-19 US disclosed
US-20060084592-A1 Peptide boronic acid inhibitors TRIGEN LIMITED 2006-04-20 US disclosed
US-20050282742-A1 Formulation of boronic acid compounds Government of the USA, represented by the Secretary,Dept. of Health and Human Services (US) 2005-12-22 US disclosed
US-20050240047-A1 contacting the boronate complex of formula with Lewis acid catalyst in presence of a coordinating ether solvent having low miscibililty in water MILLENNIUM PHARMACEUTICALS, INC. (US) 2005-10-27 US disclosed
WO-2005097809-A2 SYNTHESIS OF BORONIC ESTER AND ACID COMPOUNDS MILLENNIUM PHARMACEUTICALS, INC. (US) 2005-10-20 WO disclosed
US-20040138411-A1 Formulation of boronic acid compounds Government of U.S.A., represented by the Secretary Department of Health & Human Services 2004-07-15 US disclosed
US-6699835-B2 BORON COMPOUND FOR USE IN THE TREATMENT OF STROKE, HEART DEFECTS, INFLAMMATION, AUTOIMMUNE AND CANCER DISEASE THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES 2004-03-02 US disclosed
US-20020188100-A1 Formulation of boronic acid compounds MILLENNIUM PHARMACEUTICALS, INC. 2002-12-12 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 (12 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-20060084592-A1 Peptide boronic acid inhibitors BMX, YBX1, HAX1 PSMB5 3160/4885LONP1 3940/4885PSMB8 3518/4885
US-20020188100-A1 Formulation of boronic acid compounds SLC10A2, BTD, SLC10A1 PSMB5 1670/4885LONP1 4212/4885PSMB8 3710/4885
US-20050282742-A1 Formulation of boronic acid compounds SLC10A2, BTD, SLC10A1 PSMB5 1670/4885LONP1 4212/4885PSMB8 3710/4885
US-11667654-B2 Process for the preparation of boronic acid esters PBRM1, BET1, MALT1 PSMB5 275/4885LONP1 1519/4885PSMB8 1052/4885
US-20220204558-A1 SYNTHESIS OF BORONIC ESTER AND ACID COMPOUNDS BTD, BCL6, BRAP PSMB5 17/4885LONP1 2151/4885PSMB8 43/4885
US-20040138411-A1 Formulation of boronic acid compounds SLC10A2, SLC10A1, BTD PSMB5 1172/4885LONP1 3670/4885PSMB8 3012/4885
US-20210395301-A1 SYNTHESIS OF BORONIC ESTER AND ACID COMPOUNDS BTD, BCL6, BRAP PSMB5 17/4885LONP1 2151/4885PSMB8 43/4885
US-20200031850-A1 AN IMPROVED PROCESS FOR THE PREPARATION OF BORONIC ACID ESTERS BET1, PBRM1, BTD PSMB5 163/4885LONP1 1362/4885PSMB8 706/4885
US-20200157143-A1 SYNTHESIS OF BORONIC ESTER AND ACID COMPOUNDS BTD, BCL6, BRAP PSMB5 17/4885LONP1 2151/4885PSMB8 43/4885
US-20050240047-A1 contacting the boronate complex of formula with Lewis acid catalyst in presence of a coordinating ether solvent having low miscibililty in water PSMC2, PSMC1, PSMC5 PSMB5 35/4885LONP1 1346/4885PSMB8 29/4885
US-20200369722-A1 SYNTHESIS OF BORONIC ESTER AND ACID COMPOUNDS BTD, BCL6, BRAP PSMB5 17/4885LONP1 2151/4885PSMB8 43/4885
US-20210171574-A1 SYNTHESIS OF BORONIC ESTER AND ACID COMPOUNDS BTD, BCL6, BRAP PSMB5 17/4885LONP1 2151/4885PSMB8 43/4885

“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.