SCHEMBL232948

SCHEMBL232948

CC(C)C[C@H](N)B(O)O.O=C(O)[C@H](Cc1cccc2ccccc12)NS(=O)(=O)c1cccc2cccnc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.45
ITGAV P06756 1/20 0.45
NTSR1 P30989 2/20 0.45
CYP3A4 P08684 3/20 0.44
CYP2C9 P11712 3/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
CYP1A2 P05177 2/20 0.44
CYP2C19 P33261 2/20 0.44
MAPT P10636 2/20 0.44
GAA P10253 2/20 0.44
NPSR1 Q6W5P4 1/20 0.44
MMP1 P03956 1/20 0.43
ADAM17 P78536 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
KEAP1 Q14145 1/20 0.41
NFE2L2 Q16236 1/20 0.41
MMP2 P08253 1/20 0.41
MMP9 P14780 1/20 0.41
MMP8 P22894 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
Alanine SCHEMBL601223 0.98 ITGB3 (0.44) ITGB3ITGAVNTSR1CYP3A4CYP2C9
Leucine SCHEMBL3814957 0.92 ITGB3 (0.45) ITGB3ITGAVNTSR1CYP3A4CYP2C9
SCHEMBL7217344 0.91 MAPT (0.53) ITGB3ITGAVNTSR1CYP3A4CYP2C9
Leucine SCHEMBL1414045 0.91 ITGB3 (0.47) ITGB3ITGAVNTSR1CYP3A4CYP2C9
SCHEMBL7161574 0.87 NPSR1 (0.48) ITGB3ITGAVNTSR1CYP3A4CYP2C9
SCHEMBL3194343 0.86 ITGB3 (0.43) ITGB3ITGAVNTSR1CYP3A4CYP2C9
SCHEMBL1406185 0.86 GAA (0.38) ITGB3ITGAVNTSR1CYP3A4CYP2C9
SCHEMBL31238101 0.85 PSMB5 (0.54) ITGB3ITGAVNTSR1CYP3A4CYP2C9
Alanine SCHEMBL3470608 0.82 NTSR1 (0.39) NTSR1MEN1KMT2AKEAP1NFE2L2
SCHEMBL5098994 0.80 NTSR1 (0.58) ITGB3ITGAVNTSR1CYP3A4CYP2C9

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 116 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
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
EP-1123412-A1 METHOD FOR MONITORING PROTEASOME INHIBITOR DRUG ACTION Millennium Pharmaceuticals, Inc. (US) 2001-08-16 EP claimed
US-6083903-A REDUCE RATE OF DEGRADATION OF PROTEINS IN ANIMAL LEUKOSITE, INC. (US) 2000-07-04 US 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 (2 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 ITGB3 4554/4885ITGAV 4522/4885NTSR1 869/4885
US-20150072942-A1 BORONIC ESTER AND ACID COMPOUNDS, SYNTHESIS AND USES BCL6, BCAP31, CD79B ITGB3 3002/4885ITGAV 3068/4885NTSR1 2869/4885

“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.