SCHEMBL2299326

SCHEMBL2299326

CC(C)C[C@@H](C(=O)O)N(C)C(=O)OCc1ccccc1.CC(C)C[C@H](N)OBO

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSK P43235 6/20 0.48
CTSB P07858 3/20 0.48
CTSL P07711 2/20 0.48
CTSS P25774 2/20 0.48
ABCB1 P08183 2/20 0.41
ITGB3 P05106 1/20 0.40
ITGA2B P08514 1/20 0.40
SLC15A1 P46059 1/20 0.38
SLC1A3 P43003 1/20 0.38
SLC1A1 P43005 1/20 0.38
FOLH1 Q04609 1/20 0.37

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
SCHEMBL2300007 0.88 CTSK (0.57) CTSKCTSBCTSLCTSSABCB1
SCHEMBL2497060 0.88 CTSK (0.57) CTSKCTSBCTSLCTSSABCB1
SCHEMBL7000046 0.88 CTSK (0.57) CTSKCTSBCTSLCTSSABCB1
Leucine SCHEMBL2302063 0.88 CTSK (0.49) CTSKCTSBCTSLCTSSABCB1
Leucine SCHEMBL14693625 0.86 CTSK (0.52) CTSKCTSBCTSLCTSSABCB1
Leucine SCHEMBL4294227 0.84 CTSK (0.50) CTSKCTSBCTSLCTSSABCB1
SCHEMBL2302062 0.83 CTSK (0.49) CTSKCTSBCTSLCTSSABCB1
SCHEMBL5033886 0.81 CTSK (0.46) CTSKCTSBCTSLCTSSABCB1
SCHEMBL16272898 0.81 CTSK (0.57) CTSKCTSBCTSLCTSSABCB1
SCHEMBL7163779 0.80 CTSK (0.38) CTSKCTSBCTSLCTSSSLC15A1

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 23 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 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
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
EP-1627880-B1 Boronic ester and acid compounds, synthesis and uses MILLENNIUM PHARM INC (US) 2008-10-15 EP disclosed
US-20080132678-A1 Boronic ester and acid compounds, synthesis and uses MILLENNIUM PHARMACEUTICALS, INC. (US) 2008-06-05 US disclosed
US-20070282100-A1 Boronic ester and acid compounds, synthesis and uses MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-12-06 US disclosed
US-20030199561-A1 Boronic ester and acid compounds, synthesis and uses MILLENNIUM PHARMACEUTICALS, INC. 2003-10-23 US disclosed
US-6617317-B1 Reducing the rate of degradation of proteins in an animal MILLENNIUM PHARMACEUTICALS, INC. 2003-09-09 US disclosed
EP-0788360-B1 BORONIC ESTER AND ACID COMPOUNDS, SYNTHESIS AND USES MILLENNIUM PHARM INC (US) 2003-05-28 EP disclosed
EP-1312609-A1 Boronic ester and acid compounds, synthesis and uses Millennium Pharmaceuticals, Inc. (US) 2003-05-21 EP disclosed
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 disclosed
US-6297217-B1 TREATMENT OF CANCER WITH PROTEASE INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. 2001-10-02 US disclosed
US-6083903-A REDUCE RATE OF DEGRADATION OF PROTEINS IN ANIMAL LEUKOSITE, INC. (US) 2000-07-04 US disclosed
US-6066730-A Boronic ester and acid compounds, synthesis and uses PROSCRIPT, INC. 2000-05-23 US disclosed
US-5780454-A Boronic ester and acid compounds PROSCRIPT, INC. (US) 1998-07-14 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 (6 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-20030199561-A1 Boronic ester and acid compounds, synthesis and uses BCL6, BCAP31, CD79B CTSK 2347/4885CTSB 420/4885CTSL 3425/4885
US-20150072942-A1 BORONIC ESTER AND ACID COMPOUNDS, SYNTHESIS AND USES BCL6, BCAP31, CD79B CTSK 2510/4885CTSB 461/4885CTSL 3805/4885
US-20110306560-A1 BORONIC ESTER AND ACID COMPOUNDS, SYNTHESIS AND USES BCL6, BCAP31, CD79B CTSK 2510/4885CTSB 461/4885CTSL 3805/4885
US-20070282100-A1 Boronic ester and acid compounds, synthesis and uses BCL6, BCAP31, CD79B CTSK 2510/4885CTSB 461/4885CTSL 3805/4885
US-20080132678-A1 Boronic ester and acid compounds, synthesis and uses BCL6, BCAP31, CD79B CTSK 2510/4885CTSB 461/4885CTSL 3805/4885
US-20130310320-A1 BORONIC ESTER AND ACID COMPOUNDS, SYNTHESIS AND USES BCL6, BCAP31, CD79B CTSK 2510/4885CTSB 461/4885CTSL 3805/4885

“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.