SCHEMBL1406173

SCHEMBL1406173

CC(C)C[C@H](N)OBO[C@H](COC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)N1CCOCC1)[C@@H](O)[C@H](O)[C@H](O)CO

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSS P25774 14/20 0.40
PSMB11 A5LHX3 1/20 0.35
PSMA7 O14818 1/20 0.35
PSMB1 P20618 1/20 0.35
PSMA1 P25786 1/20 0.35
PSMA2 P25787 1/20 0.35
PSMA3 P25788 1/20 0.35
PSMA4 P25789 1/20 0.35
PSMB8 P28062 1/20 0.35
PSMB9 P28065 1/20 0.35
PSMA5 P28066 1/20 0.35
PSMB4 P28070 1/20 0.35
PSMB6 P28072 1/20 0.35
PSMB5 P28074 1/20 0.35
PSMB10 P40306 1/20 0.35
PSMB3 P49720 1/20 0.35
PSMB2 P49721 1/20 0.35
PSMA6 P60900 1/20 0.35
PSMA8 Q8TAA3 1/20 0.35
PSMB7 Q99436 1/20 0.35

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
SCHEMBL1405950 0.93 CTSS (0.46) CTSSPSMB11PSMA7PSMB1PSMA1
SCHEMBL1405946 0.91 CTSS (0.44) CTSSPSMB11PSMA7PSMB1PSMA1
SCHEMBL1406160 0.88 CTSS (0.37) CTSSPSMB11PSMA7PSMB1PSMA1
SCHEMBL1406323 0.85 CTSS (0.40) CTSSPSMB8CTSLCTSB
SCHEMBL1406197 0.77 CTSS (0.40) CTSSPSMB11PSMA7PSMB1PSMA1
SCHEMBL6839187 0.74 KDM4E (0.34) CTSS
SCHEMBL1406024 0.74 CTSS (0.44) CTSSPSMB11PSMA7PSMB1PSMA1
SCHEMBL3185566 0.74 CTSS (0.48) CTSSPSMB11PSMA7PSMB1PSMA1
SCHEMBL1406094 0.73 CTSL (0.41) CTSSPSMB11PSMA7PSMB1PSMA1
SCHEMBL1406021 0.72 PSMB5 (0.51) PSMB11PSMA7PSMB1PSMA1PSMA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-20040138411-A1 Formulation of boronic acid compounds Government of U.S.A., represented by the Secretary Department of Health & Human Services 2004-07-15 US claimed
US-20040063623-A1 Formulation of boronic acid compounds GOV. OF THE U.S.A. REPRESENTED BY THE SECRETARY, DEPT. OF HEALTH AND HUMAN SVCS. 2004-04-01 US claimed
US-6713446-B2 BORONIC ACID COMPOUNDS OBTAINED BY LYOPHILIZATION OF AN AQUEOUS MIXTURE OF THE BORONIC ACID COMPOUND AND A SUGAR HAVING AT LEAST TWO HYDROXYL GROUPS; SHELF LIFE THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE DEPARTMENT OF HEALTH AND HUMAN SERVICES 2004-03-30 US claimed
US-6699835-B2 BORON COMPOUND FOR USE IN THE TREATMENT OF STROKE, HEART DEFECTS, INFLAMMATION, AUTOIMMUNE AND CANCER DISEASE THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES 2004-03-02 US claimed
EP-1360189-A1 FORMULATION OF BORONIC ACID COMPOUNDS Millennium Pharmaceuticals, Inc. (US) 2003-11-12 EP claimed
EP-1355910-A1 FORMULATION OF BORONIC ACID COMPOUNDS The United States of America, represented by the Secretary, Department of Health and Human Services (US) 2003-10-29 EP claimed
US-20020188100-A1 Formulation of boronic acid compounds MILLENNIUM PHARMACEUTICALS, INC. 2002-12-12 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
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
EP-2251344-B2 FORMULATION OF BORONIC ACID COMPOUNDS THE UNITED STATES OF AMERICA REPRESENTED BY THE SEC DEP OF HEALTH AND HUMAN SERVICES (US) 2024-04-24 EP disclosed
EP-3078667-B1 FORMULATION OF BORONIC ACID COMPOUNDS THE UNITED STATES OF AMERICA REPRESENTED BY THE SEC DEP OF HEALTH AND HUMAN SERVICES (US) 2018-11-21 EP disclosed
EP-3078667-A1 FORMULATION OF BORONIC ACID COMPOUNDS The United States of America, represented by the Secretary, Department of Health and Human Services (US) 2016-10-12 EP disclosed
EP-2251344-B1 FORMULATION OF BORONIC ACID COMPOUNDS US OF AMERICA REPRESENTED BY THE SECRETARY DEPT OF HEALTH AND HUMAN SERVICES (US) 2016-03-30 EP disclosed
EP-1355910-A1 FORMULATION OF BORONIC ACID COMPOUNDS The United States of America, represented by the Secretary, Department of Health and Human Services (US) 2003-10-29 EP disclosed
US-20020188100-A1 Formulation of boronic acid compounds MILLENNIUM PHARMACEUTICALS, INC. 2002-12-12 US disclosed
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 disclosed
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 disclosed
WO-2002059131-A1 FORMULATION OF BORONIC ACID COMPOUNDS MILLENNIUM PHARMACEUTICALS, INC. (US) 2002-08-01 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 (4 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-20020188100-A1 Formulation of boronic acid compounds SLC10A2, BTD, SLC10A1 CTSS 4167/4885PSMB11 2431/4885PSMA7 2798/4885
US-20040138411-A1 Formulation of boronic acid compounds SLC10A2, SLC10A1, BTD CTSS 4208/4885PSMB11 2140/4885PSMA7 2280/4885
US-20040063623-A1 Formulation of boronic acid compounds SLC5A1, FBP1, BBC3 CTSS 3297/4885PSMB11 1257/4885PSMA7 2215/4885
US-20020169114-A1 Formulation of boronic acid compounds SLC5A1, FBP1, BBC3 CTSS 3297/4885PSMB11 1257/4885PSMA7 2215/4885

“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.