SCHEMBL234112

SCHEMBL234112

CC(C)C[C@H](N)B(O)O.O=C(O)[C@H](Cc1ccc(OCc2ccccn2)cc1)NC(=O)N1CCOCC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSS P25774 6/20 0.45
GPR132 Q9UNW8 1/20 0.45
ITGA4 P13612 1/20 0.43
MAOB P27338 1/20 0.43
POLB P06746 1/20 0.41
GAA P10253 1/20 0.41
MME P08473 1/20 0.41
ACE P12821 1/20 0.41
CPA1 P15085 1/20 0.41
ACE2 Q9BYF1 1/20 0.41
PPARG P37231 1/20 0.40
PSMB11 A5LHX3 1/20 0.40
PSMA7 O14818 1/20 0.40
PSMB1 P20618 1/20 0.40
PSMA1 P25786 1/20 0.40
PSMA2 P25787 1/20 0.40
PSMA3 P25788 1/20 0.40
PSMA4 P25789 1/20 0.40
PSMB8 P28062 1/20 0.40
PSMB9 P28065 1/20 0.40

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 SCHEMBL3820155 0.92 CTSS (0.45) CTSSGPR132ITGA4MAOBPOLB
Leucine SCHEMBL1406207 0.92 CTSS (0.47) CTSSGPR132ITGA4MAOBPOLB
SCHEMBL231820 0.91 CTSS (0.51) CTSSITGA4POLBGAAMME
SCHEMBL3194104 0.88 CTSS (0.44) CTSSGPR132ITGA4MAOBPOLB
SCHEMBL234783 0.85 CTSS (0.59) CTSSPOLBGAAPSMB11PSMA7
Leucine SCHEMBL3816835 0.83 CTSS (0.51) CTSSITGA4POLBMMEACE
Leucine SCHEMBL1406209 0.82 CTSS (0.54) CTSSITGA4POLBMMEACE
SCHEMBL5528017 0.81 CTSS (0.43) CTSSPOLBGAAPSMB11PSMA7
SCHEMBL234602 0.80 CTSS (0.49) CTSSPOLBGAAPSMB11PSMA7
SCHEMBL2299523 0.79 CTSS (0.50) CTSSITGA4POLBMMEACE

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 163 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
US-20090247731-A1 BORONIC ESTER AND ACID COMPOUNDS, SYNTHESIS AND USES MILLENNIUM PHARMACEUTICALS, INC. (US) 2009-10-01 US claimed
EP-0788360-B3 BORONIC ESTER AND ACID COMPOUNDS, SYNTHESIS AND USES MILLENNIUM PHARM INC (US) 2009-08-12 EP claimed
US-7531526-B2 Boronic ester and acid compounds, synthesis and uses MILLENNIUM PHARMACEUTICALS, INC. (US) 2009-05-12 US claimed
US-20080132678-A1 Boronic ester and acid compounds, synthesis and uses MILLENNIUM PHARMACEUTICALS, INC. (US) 2008-06-05 US 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-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
US-6297217-B1 TREATMENT OF CANCER WITH PROTEASE INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. 2001-10-02 US claimed
EP-1123412-A1 METHOD FOR MONITORING PROTEASOME INHIBITOR DRUG ACTION Millennium Pharmaceuticals, Inc. (US) 2001-08-16 EP claimed
WO-2000023614-A1 METHOD FOR MONITORING PROTEASOME INHIBITOR DRUG ACTION MILLENNIUM PHARMACEUTICALS, INC. (US) 2000-04-27 WO 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 CTSS 4167/4885GPR132 3537/4885ITGA4 4589/4885
US-20150072942-A1 BORONIC ESTER AND ACID COMPOUNDS, SYNTHESIS AND USES BCL6, BCAP31, CD79B CTSS 2481/4885GPR132 3093/4885ITGA4 2649/4885
US-20020169114-A1 Formulation of boronic acid compounds SLC5A1, FBP1, BBC3 CTSS 3297/4885GPR132 4067/4885ITGA4 4377/4885
US-20090247731-A1 BORONIC ESTER AND ACID COMPOUNDS, SYNTHESIS AND USES BCL6, BCAP31, CD79B CTSS 2481/4885GPR132 3093/4885ITGA4 2649/4885
US-20080132678-A1 Boronic ester and acid compounds, synthesis and uses BCL6, BCAP31, CD79B CTSS 2481/4885GPR132 3093/4885ITGA4 2649/4885

“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.