Leucine

Leucine

SCHEMBL2297615

CB(O)O.CC(C)C[C@H](N)C(=O)O.O=C(O)[C@H](Cc1cccc2ccccc12)NC(=O)N1CCOCC1

nearest known ligand 0.49

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 2/20 0.49
MMP9 P14780 2/20 0.49
MMP8 P22894 2/20 0.49
CTSS P25774 9/20 0.47
GAA P10253 1/20 0.46
MME P08473 2/20 0.44
ACE P12821 2/20 0.44
CPA1 P15085 1/20 0.43
ACE2 Q9BYF1 1/20 0.43
CTSB P07858 2/20 0.43
CTSK P43235 2/20 0.43
CTSH P09668 1/20 0.43
CTSC P53634 1/20 0.43
CTSL P07711 1/20 0.43
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
TSHR P16473 1/20 0.42
HSD17B10 Q99714 1/20 0.42
HRH4 Q9H3N8 1/20 0.42
PSMB5 P28074 1/20 0.41

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 SCHEMBL3812226 0.97 MMP2 (0.48) MMP2MMP9MMP8CTSSGAA
Leucine SCHEMBL1406254 0.96 MMP2 (0.50) MMP2MMP9MMP8CTSSGAA
Leucine SCHEMBL5528909 0.94 MMP2 (0.48) MMP2MMP9MMP8CTSSGAA
Leucine SCHEMBL8202526 0.93 MMP2 (0.48) MMP2MMP9MMP8CTSSGAA
SCHEMBL233988 0.90 MMP2 (0.48) MMP2MMP9MMP8CTSSGAA
SCHEMBL2780950 0.86 KDM4E (0.55) MMP2MMP9MMP8CTSSGAA
SCHEMBL756847 0.86 KDM4E (0.55) MMP2MMP9MMP8CTSSGAA
SCHEMBL2302161 0.84 CTSS (0.45) MMP2MMP9MMP8CTSSGAA
Leucine SCHEMBL3812485 0.84 CTSS (0.59) CTSSGAACTSBCTSKCTSH
Leucine SCHEMBL1406330 0.83 CTSS (0.62) CTSSGAACTSBCTSKCTSH

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 19 patents. 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 disclosed
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-1997823-A1 Boronic ester and acid compounds, synthesis and uses Millennium Pharmaceuticals, Inc. (US) 2008-12-03 EP disclosed
EP-1627880-B1 Boronic ester and acid compounds, synthesis and uses MILLENNIUM PHARM INC (US) 2008-10-15 EP disclosed
US-20070282100-A1 Boronic ester and acid compounds, synthesis and uses MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-12-06 US disclosed
US-7119080-B2 For use as inhibitors of proteasome; for reducing the rate of degradation of proteins in an animal MILLENNIUM PHARMACEUTICALS, INC. (US) 2006-10-10 US disclosed
EP-1312609-B1 Boronic ester and acid compounds, synthesis and uses MILLENNIUM PHARM INC (US) 2005-12-28 EP disclosed
US-20040167332-A1 Boronic ester and acid compounds, synthesis and uses MILLENNIUM PHARMACEUTICALS, INC. (US) 2004-08-26 US disclosed
US-6747150-B2 FOR REDUCING RATE OF DEGRADATION OF PROTEINS IN AN ANIMAL; INHIBITING HIV REPLICATION MILLENNIUM PHARMACEUTICALS, INC. 2004-06-08 US disclosed
US-20030199561-A1 Boronic ester and acid compounds, synthesis and uses MILLENNIUM PHARMACEUTICALS, INC. 2003-10-23 US disclosed
EP-1312609-A1 Boronic ester and acid compounds, synthesis and uses Millennium Pharmaceuticals, Inc. (US) 2003-05-21 EP disclosed
US-6548668-B2 Stabilizer for proteins MILLENNIUM PHARMACEUTICALS, INC. 2003-04-15 US disclosed
US-20020173488-A1 Boronic Ester and acid compounds, synthesis and uses MILLENNIUM PHARMACEUTICALS, INC. (US) 2002-11-21 US disclosed
US-6297217-B1 TREATMENT OF CANCER WITH PROTEASE INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. 2001-10-02 US 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 (8 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-20040167332-A1 Boronic ester and acid compounds, synthesis and uses BCL6, BCAP31, CD79B MMP2 1697/4885MMP9 3861/4885MMP8 1304/4885
US-20030199561-A1 Boronic ester and acid compounds, synthesis and uses BCL6, BCAP31, CD79B MMP2 1366/4885MMP9 3742/4885MMP8 1012/4885
US-20150072942-A1 BORONIC ESTER AND ACID COMPOUNDS, SYNTHESIS AND USES BCL6, BCAP31, CD79B MMP2 1697/4885MMP9 3861/4885MMP8 1304/4885
US-20110306560-A1 BORONIC ESTER AND ACID COMPOUNDS, SYNTHESIS AND USES BCL6, BCAP31, CD79B MMP2 1697/4885MMP9 3861/4885MMP8 1304/4885
US-20070282100-A1 Boronic ester and acid compounds, synthesis and uses BCL6, BCAP31, CD79B MMP2 1697/4885MMP9 3861/4885MMP8 1304/4885
US-20020173488-A1 Boronic Ester and acid compounds, synthesis and uses BCL6, BCAP31, CD79B MMP2 1366/4885MMP9 3742/4885MMP8 1012/4885
US-20090247731-A1 BORONIC ESTER AND ACID COMPOUNDS, SYNTHESIS AND USES BCL6, BCAP31, CD79B MMP2 1697/4885MMP9 3861/4885MMP8 1304/4885
US-20130310320-A1 BORONIC ESTER AND ACID COMPOUNDS, SYNTHESIS AND USES BCL6, BCAP31, CD79B MMP2 1697/4885MMP9 3861/4885MMP8 1304/4885

“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.