SCHEMBL234157

SCHEMBL234157

CC(C)C[C@H](N)B(O)O.O=C(N[C@@H](Cc1ccccc1)C(=O)O)c1cccnc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSMB5 P28074 5/20 0.54
GPR132 Q9UNW8 5/20 0.53
CMKLR2 P46091 1/20 0.53
CMKLR1 Q99788 1/20 0.53
LMNA P02545 1/20 0.52
ECE1 P42892 1/20 0.52
LONP1 P36776 4/20 0.52
PSMB11 A5LHX3 3/20 0.52
PSMA7 O14818 3/20 0.52
PSMB1 P20618 3/20 0.52
PSMA1 P25786 3/20 0.52
PSMA2 P25787 3/20 0.52
PSMA3 P25788 3/20 0.52
PSMA4 P25789 3/20 0.52
PSMB8 P28062 3/20 0.52
PSMB9 P28065 3/20 0.52
PSMA5 P28066 3/20 0.52
PSMB4 P28070 3/20 0.52
PSMB6 P28072 3/20 0.52
PSMB10 P40306 3/20 0.52

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 SCHEMBL3816604 0.90 GPR132 (0.53) PSMB5GPR132CMKLR2CMKLR1LMNA
SCHEMBL15689578 0.90 PSMB5 (0.66) PSMB5CA1CA2CTRB1
Leucine SCHEMBL1406326 0.89 GPR132 (0.56) PSMB5GPR132CMKLR2CMKLR1LMNA
SCHEMBL234139 0.85 PSMB5 (0.71) PSMB5LONP1PSMB11PSMA7PSMB1
SCHEMBL30037998 0.85 GPR132 (0.69) GPR132CMKLR2CMKLR1LMNAECE1
SCHEMBL3497405 0.85 GPR132 (0.69) GPR132CMKLR2CMKLR1LMNAECE1
SCHEMBL2229201 0.85 GPR132 (0.69) GPR132CMKLR2CMKLR1LMNAECE1
SCHEMBL1406263 0.84 PSMB5 (0.47) PSMB5GPR132CMKLR2CMKLR1LMNA
SCHEMBL3202113 0.83 GPR132 (0.53) PSMB5GPR132CMKLR2CMKLR1LMNA
SCHEMBL7211174 0.82 PSMB5 (0.70) PSMB5LONP1PSMB11PSMA7PSMB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150072942-A1 BORONIC ESTER AND ACID COMPOUNDS, SYNTHESIS AND USES MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-03-12 US claimed
EP-1355910-B1 FORMULATION OF BORONIC ACID COMPOUNDS US OF AMERICA REPRESENTED BY THE SECRETARY DEPT OF HEALTH AND HUMAN SERVICES (US) 2011-03-09 EP claimed
EP-2251344-A1 Formulation of boronic acid compounds THE UNITED STATES OF AMERICA, represented by THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2010-11-17 EP claimed
EP-0788360-B3 BORONIC ESTER AND ACID COMPOUNDS, SYNTHESIS AND USES MILLENNIUM PHARM INC (US) 2009-08-12 EP claimed
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 claimed
EP-1627880-A1 Boronic ester and acid compounds, synthesis and uses Millennium Pharmaceuticals, Inc. (US) 2006-02-22 EP claimed
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 claimed
US-6958319-B2 Formulation of boronic acid compounds THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2005-10-25 US claimed
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 claimed
US-20040063623-A1 Formulation of boronic acid compounds GOV. OF THE U.S.A. REPRESENTED BY THE SECRETARY, DEPT. OF HEALTH AND HUMAN SVCS. 2004-04-01 US claimed
US-20020169114-A1 Formulation of boronic acid compounds THE UNITED STATES OF AMERICA, REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES 2002-11-14 US claimed
US-6465433-B1 SUCH AS N-(2-PYRIDINE)CARBONYL-L-PHENYLALANINE-L-LEUCINE BORONIC ACID; PROTEASOME INHIBITORS; REDUCING RATE OF MUSCLE PROTEIN DEGRADATION MILLENNIUM PHARMACEUTICALS, INC. 2002-10-15 US claimed
WO-2002059130-A1 FORMULATION OF BORONIC ACID COMPOUNDS THE UNITED STATES OF AMERICA, REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2002-08-01 WO claimed
WO-2002059131-A1 FORMULATION OF BORONIC ACID COMPOUNDS MILLENNIUM PHARMACEUTICALS, INC. (US) 2002-08-01 WO claimed
US-6297217-B1 TREATMENT OF CANCER WITH PROTEASE INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. 2001-10-02 US claimed
US-6083903-A REDUCE RATE OF DEGRADATION OF PROTEINS IN ANIMAL LEUKOSITE, INC. (US) 2000-07-04 US claimed
US-5780454-A Boronic ester and acid compounds PROSCRIPT, INC. (US) 1998-07-14 US claimed
EP-0788360-A4 BORONIC ESTER AND ACID COMPOUNDS, SYNTHESIS AND USES PROSCRIPT INC (US) 1998-05-06 EP claimed
EP-0788360-A1 BORONIC ESTER AND ACID COMPOUNDS, SYNTHESIS AND USES PROSCRIPT, INC. (US) 1997-08-13 EP claimed
WO-1996013266-A1 BORONIC ESTER AND ACID COMPOUNDS, SYNTHESIS AND USES PROSCRIPT, INC. (US) 1996-05-09 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 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-20050282742-A1 Formulation of boronic acid compounds SLC10A2, BTD, SLC10A1 PSMB5 1670/4885GPR132 3537/4885CMKLR2 3817/4885
US-20040138411-A1 Formulation of boronic acid compounds SLC10A2, SLC10A1, BTD PSMB5 1172/4885GPR132 3404/4885CMKLR2 4154/4885
US-20150072942-A1 BORONIC ESTER AND ACID COMPOUNDS, SYNTHESIS AND USES BCL6, BCAP31, CD79B PSMB5 2158/4885GPR132 3093/4885CMKLR2 4098/4885
US-20040063623-A1 Formulation of boronic acid compounds SLC5A1, FBP1, BBC3 PSMB5 1569/4885GPR132 4067/4885CMKLR2 3362/4885
US-20020169114-A1 Formulation of boronic acid compounds SLC5A1, FBP1, BBC3 PSMB5 1569/4885GPR132 4067/4885CMKLR2 3362/4885

“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.