SCHEMBL2295176

SCHEMBL2295176

CC(C)C[C@H](N)B(O)O.N[C@@H](Cc1cccc2ccccc12)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSMB5 P28074 3/20 0.47
MAPT P10636 2/20 0.45
ALDH1A1 P00352 1/20 0.45
RECQL P46063 1/20 0.45
CTNNB1 P35222 1/20 0.45
MMP2 P08253 1/20 0.43
MMP9 P14780 1/20 0.43
MMP8 P22894 1/20 0.43
SLC1A3 P43003 1/20 0.43
SLC1A2 P43004 1/20 0.43
SLC1A1 P43005 1/20 0.43
MME P08473 2/20 0.43
ACE P12821 2/20 0.43
NOS3 P29474 1/20 0.43
NOS1 P29475 1/20 0.43
NOS2 P35228 1/20 0.43
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
LMNA P02545 1/20 0.43
MPO P05164 1/20 0.43

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
Hydrochloric Acid SCHEMBL2297582 0.99 PSMB5 (0.47) PSMB5MAPTALDH1A1RECQLCTNNB1
Alanine SCHEMBL671385 0.98 PSMB5 (0.46) PSMB5MAPTALDH1A1RECQLCTNNB1
Levacetylleucine SCHEMBL6674776 0.91 PSMB5 (0.48) PSMB5ALDH1A1MMP2MMP9MMP8
Leucine SCHEMBL27471555 0.90 MAPT (0.47) PSMB5MAPTALDH1A1RECQLCTNNB1
Leucine SCHEMBL6672109 0.89 MAPT (0.50) MAPTALDH1A1RECQLCTNNB1SLC1A3
Leucine SCHEMBL27470583 0.89 MAPT (0.50) MAPTALDH1A1RECQLCTNNB1SLC1A3
SCHEMBL660499 0.84 CTNNB1 (0.59) MAPTALDH1A1RECQLCTNNB1SLC1A3
SCHEMBL93516 0.84 CTNNB1 (0.59) MAPTALDH1A1RECQLCTNNB1SLC1A3
SCHEMBL29482763 0.84 CTNNB1 (0.59) MAPTALDH1A1RECQLCTNNB1SLC1A3
SCHEMBL29397866 0.84 CTNNB1 (0.59) MAPTALDH1A1RECQLCTNNB1SLC1A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1123412-B1 METHOD FOR MONITORING PROTEASOME INHIBITOR DRUG ACTION MILLENNIUM PHARM INC (US) 2004-10-06 EP claimed
WO-2002101012-A9 REGULATION OF TRANSGENE EXPRESSION FOLLOWING AAV TRANSDUCTION CHILDREN S HOSPITAL RES FOUNDA (US) 2003-12-18 WO claimed
US-6613541-B1 Pharmacology; bioassay; proteolysis; enzyme inhibitors; use to provide guidance for selecting dose amount and dose frequency of proteasome inhibitors for treatment of cancer, inflammatory and autoimmune diseases MILLENNIUM PHARMACEUTICALS, INC. 2003-09-02 US claimed
WO-2002101012-A2 REGULATION OF TRANSGENE EXPRESSION FOLLOWING AAV TRANSDUCTION CHILDREN'S HOSPITAL RESEARCH FOUNDATION (US) 2002-12-19 WO 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-20130310320-A1 BORONIC ESTER AND ACID COMPOUNDS, SYNTHESIS AND USES MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-11-21 US disclosed
US-8378099-B2 Boronic ester and acid compounds, synthesis and uses MILLENNIUM PHARMACUETICALS, INC. (US) 2013-02-19 US disclosed
US-20110306560-A1 BORONIC ESTER AND ACID COMPOUNDS, SYNTHESIS AND USES MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-12-15 US disclosed
US-8003791-B2 Boronic ester and acid compounds, synthesis and uses MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-08-23 US disclosed
US-20090247731-A1 BORONIC ESTER AND ACID COMPOUNDS, SYNTHESIS AND USES MILLENNIUM PHARMACEUTICALS, INC. (US) 2009-10-01 US disclosed
EP-0788360-B3 BORONIC ESTER AND ACID COMPOUNDS, SYNTHESIS AND USES MILLENNIUM PHARM INC (US) 2009-08-12 EP disclosed
US-7531526-B2 Boronic ester and acid compounds, synthesis and uses MILLENNIUM PHARMACEUTICALS, INC. (US) 2009-05-12 US disclosed
WO-2000023614-A1 METHOD FOR MONITORING PROTEASOME INHIBITOR DRUG ACTION MILLENNIUM PHARMACEUTICALS, INC. (US) 2000-04-27 WO disclosed
WO-1999015183-A9 PROTEASOME INHIBITORS, UBIQUITIN PATHWAY INHIBITORS OR AGENTS THAT INTERFERE WITH THE ACTIVATION OF NF-λB VIA THE UBIQUITIN PROTEASOME PATHWAY TO TREAT INFLAMMATORY AND AUTOIMMUNE DISEASES PROSCRIPT INC (US) 1999-07-29 WO disclosed
WO-1999015183-A1 PROTEASOME INHIBITORS, UBIQUITIN PATHWAY INHIBITORS OR AGENTS THAT INTERFERE WITH THE ACTIVATION OF NF-λB VIA THE UBIQUITIN PROTEASOME PATHWAY TO TREAT INFLAMMATORY AND AUTOIMMUNE DISEASES PROSCRIPT INC. (US) 1999-04-01 WO disclosed
US-5780454-A Boronic ester and acid compounds PROSCRIPT, INC. (US) 1998-07-14 US disclosed
EP-0788360-A4 BORONIC ESTER AND ACID COMPOUNDS, SYNTHESIS AND USES PROSCRIPT INC (US) 1998-05-06 EP disclosed
EP-0788360-A1 BORONIC ESTER AND ACID COMPOUNDS, SYNTHESIS AND USES PROSCRIPT, INC. (US) 1997-08-13 EP disclosed
WO-1996013266-A1 BORONIC ESTER AND ACID COMPOUNDS, SYNTHESIS AND USES PROSCRIPT, INC. (US) 1996-05-09 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 (3 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-20110306560-A1 BORONIC ESTER AND ACID COMPOUNDS, SYNTHESIS AND USES BCL6, BCAP31, CD79B PSMB5 2158/4885MAPT 4135/4885ALDH1A1 3283/4885
US-20090247731-A1 BORONIC ESTER AND ACID COMPOUNDS, SYNTHESIS AND USES BCL6, BCAP31, CD79B PSMB5 2158/4885MAPT 4135/4885ALDH1A1 3283/4885
US-20130310320-A1 BORONIC ESTER AND ACID COMPOUNDS, SYNTHESIS AND USES BCL6, BCAP31, CD79B PSMB5 2158/4885MAPT 4135/4885ALDH1A1 3283/4885

“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.