SCHEMBL17653633

SCHEMBL17653633

O=C(Cc1ccncc1)N[C@@H](Cc1coc2ccccc12)B(O)O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PSMB5 P28074 19/20 1.00
PSMB8 P28062 6/20 1.00

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
SCHEMBL23017745 1.00 PSMB5 (1.00) PSMB5PSMB8
SCHEMBL28506384 0.91 PSMB5 (1.00) PSMB5PSMB8
SCHEMBL17653752 0.91 PSMB5 (1.00) PSMB5PSMB8
SCHEMBL15075961 0.89 PSMB5 (0.81) PSMB5PSMB8
SCHEMBL17653759 0.89 PSMB5 (1.00) PSMB5PSMB8
Hydrochloric Acid SCHEMBL15058246 0.89 PSMB5 (0.79) PSMB5PSMB8
SCHEMBL23017770 0.89 PSMB5 (1.00) PSMB5PSMB8
Hydrochloric Acid SCHEMBL15058247 0.89 PSMB5 (0.79) PSMB5PSMB8
SCHEMBL23017829 0.87 PSMB5 (1.00) PSMB5PSMB8
SCHEMBL23665780 0.87 PSMB5 (0.83) PSMB5PSMB8

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3201207-B1 BORONIC ACID DERIVATIVES MERCK PATENT GMBH (DE) 2021-02-24 EP claimed
CN-107001390-B Boronic acid derivatives 默克专利股份公司 2020-11-27 CN claimed
EP-3201207-A1 BORONIC ACID DERIVATIVES Merck Patent GmbH (DE) 2017-08-09 EP claimed
WO-2016050359-A1 BORONIC ACID DERIVATIVES MERCK PATENT GMBH (DE) 2016-04-07 WO claimed
EP-3201207-B1 BORONIC ACID DERIVATIVES MERCK PATENT GMBH (DE) 2021-02-24 EP disclosed
US-10294246-B2 Substituted boronic acids and boronate esters as immunoproteasome inhibitors MERCK PATENT GMBH (DE) 2019-05-21 US disclosed
US-20180105539-A1 BORONIC ACID DERIVATIVES MERCK PATENT GMBH (DE) 2018-04-19 US disclosed
US-20180105539-A1 BORONIC ACID DERIVATIVES MERCK PATENT GMBH (DE) 2018-04-19 US disclosed
EP-3201207-A1 BORONIC ACID DERIVATIVES Merck Patent GmbH (DE) 2017-08-09 EP disclosed
WO-2016050359-A1 BORONIC ACID DERIVATIVES MERCK PATENT GMBH (DE) 2016-04-07 WO disclosed
WO-2016050359-A1 BORONIC ACID DERIVATIVES MERCK PATENT GMBH (DE) 2016-04-07 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 (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-20180105539-A1 BORONIC ACID DERIVATIVES BCL9, BCL9L, BCL6 PSMB5 105/4885PSMB8 53/4885
US-10294246-B2 Substituted boronic acids and boronate esters as immunoproteasome inhibitors PSMB7, PSMA7, PSMB11 PSMB5 15/4885PSMB8 6/4885

“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.