SCHEMBL1406323

SCHEMBL1406323

CC(C)C[C@H](N)OBO[C@H](COC(=O)[C@H](Cc1cccc2ccccc12)NC(=O)N1CCOCC1)[C@@H](O)[C@H](O)[C@H](O)CO

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CTSS P25774 10/20 0.40
MMP2 P08253 1/20 0.38
MMP9 P14780 1/20 0.38
MMP8 P22894 1/20 0.38
REN P00797 2/20 0.38
TACR1 P25103 1/20 0.36
FNTA P49354 1/20 0.35
PGGT1B P53609 1/20 0.35
PSMB8 P28062 1/20 0.35
CTSB P07858 3/20 0.35
CTSK P43235 2/20 0.35
CTSL P07711 2/20 0.35
CTSH P09668 1/20 0.35
CTSC P53634 1/20 0.35
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
TSHR P16473 1/20 0.34
HSD17B10 Q99714 1/20 0.34
GAA P10253 1/20 0.34

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 0.89 CTSS (0.46) CTSSRENPSMB8CTSBCTSK
SCHEMBL1406173 0.85 CTSS (0.40) CTSSPSMB8CTSBCTSL
SCHEMBL1406331 0.84 MMP2 (0.41) CTSSMMP2MMP9MMP8REN
SCHEMBL1405946 0.84 CTSS (0.44) CTSSPSMB8
SCHEMBL6839187 0.82 KDM4E (0.34) CTSSKDM4EALDH1A1TSHRHSD17B10
SCHEMBL1406160 0.81 CTSS (0.37) CTSSRENPSMB8
SCHEMBL2302161 0.79 CTSS (0.45) CTSSMMP2MMP9MMP8REN
SCHEMBL1406179 0.77 GAA (0.36) MMP2MMP9MMP8RENTACR1
SCHEMBL9631257 0.74 POLB (0.53) CTSSMMP2MMP9MMP8TACR1
Leucine SCHEMBL1406254 0.74 MMP2 (0.50) CTSSMMP2MMP9MMP8CTSB

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 4167/4885MMP2 4832/4885MMP9 4777/4885
US-20040138411-A1 Formulation of boronic acid compounds SLC10A2, SLC10A1, BTD CTSS 4208/4885MMP2 4872/4885MMP9 4867/4885
US-20040063623-A1 Formulation of boronic acid compounds SLC5A1, FBP1, BBC3 CTSS 3297/4885MMP2 4276/4885MMP9 4373/4885
US-20020169114-A1 Formulation of boronic acid compounds SLC5A1, FBP1, BBC3 CTSS 3297/4885MMP2 4276/4885MMP9 4373/4885

“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.