SCHEMBL233988

SCHEMBL233988

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 2/20 0.48
MMP9 P14780 2/20 0.48
MMP8 P22894 2/20 0.48
CTSS P25774 10/20 0.47
GAA P10253 1/20 0.47
MME P08473 2/20 0.44
ACE P12821 2/20 0.44
CPA1 P15085 1/20 0.44
ACE2 Q9BYF1 1/20 0.44
CTSB P07858 2/20 0.44
CTSK P43235 2/20 0.44
PSMB5 P28074 1/20 0.44
CTSH P09668 1/20 0.44
CTSC P53634 1/20 0.44
CTSL P07711 1/20 0.44
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
TSHR P16473 1/20 0.43
HSD17B10 Q99714 1/20 0.43
HRH4 Q9H3N8 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
Leucine SCHEMBL3812226 0.91 MMP2 (0.48) MMP2MMP9MMP8CTSSGAA
Leucine SCHEMBL2297615 0.90 MMP2 (0.49) MMP2MMP9MMP8CTSSGAA
Leucine SCHEMBL1406254 0.90 MMP2 (0.50) MMP2MMP9MMP8CTSSGAA
Leucine SCHEMBL5528909 0.88 MMP2 (0.48) MMP2MMP9MMP8CTSSGAA
SCHEMBL234783 0.87 CTSS (0.59) CTSSGAACTSBCTSKPSMB5
Leucine SCHEMBL8202526 0.87 MMP2 (0.48) MMP2MMP9MMP8CTSSGAA
SCHEMBL2780950 0.87 KDM4E (0.55) MMP2MMP9MMP8CTSSGAA
SCHEMBL756847 0.87 KDM4E (0.55) MMP2MMP9MMP8CTSSGAA
SCHEMBL1406331 0.85 MMP2 (0.41) MMP2MMP9MMP8CTSSCTSB
SCHEMBL2302161 0.85 CTSS (0.45) MMP2MMP9MMP8CTSSGAA

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 160 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
US-8003791-B2 Boronic ester and acid compounds, synthesis and uses MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-08-23 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
EP-1312609-B1 Boronic ester and acid compounds, synthesis and uses MILLENNIUM PHARM INC (US) 2005-12-28 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-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 (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-20050282742-A1 Formulation of boronic acid compounds SLC10A2, BTD, SLC10A1 MMP2 4832/4885MMP9 4777/4885MMP8 4857/4885
US-20150072942-A1 BORONIC ESTER AND ACID COMPOUNDS, SYNTHESIS AND USES BCL6, BCAP31, CD79B MMP2 1697/4885MMP9 3861/4885MMP8 1304/4885
US-20020169114-A1 Formulation of boronic acid compounds SLC5A1, FBP1, BBC3 MMP2 4276/4885MMP9 4373/4885MMP8 4567/4885

“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.