SCHEMBL16280436

SCHEMBL16280436

O=C(CCn1cc(-c2ccccc2)nn1)NC(Cc1cccc(CC(F)(F)F)c1)B(O)O

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 13/20 0.44
HDAC1 Q13547 13/20 0.44
HDAC2 Q92769 13/20 0.44
HDAC10 Q969S8 13/20 0.44
HDAC8 Q9BY41 13/20 0.44
HDAC6 Q9UBN7 13/20 0.44
HDAC4 P56524 12/20 0.44
HDAC7 Q8WUI4 12/20 0.44
HDAC11 Q96DB2 12/20 0.44
HDAC9 Q9UKV0 12/20 0.44
HDAC5 Q9UQL6 12/20 0.44
PSMB5 P28074 5/20 0.40
PSMB8 P28062 3/20 0.40

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
SCHEMBL15075932 1.00 HDAC3 (0.44) HDAC3HDAC1HDAC2HDAC10HDAC8
SCHEMBL16280323 0.88 HDAC3 (0.46) HDAC3HDAC1HDAC2HDAC10HDAC8
SCHEMBL15075864 0.88 HDAC3 (0.46) HDAC3HDAC1HDAC2HDAC10HDAC8
SCHEMBL15075823 0.87 GLS (0.46) HDAC3HDAC1HDAC2HDAC10HDAC8
SCHEMBL16280334 0.84 HDAC3 (0.43) HDAC3HDAC1HDAC2HDAC10HDAC8
SCHEMBL15059149 0.84 HDAC3 (0.43) HDAC3HDAC1HDAC2HDAC10HDAC8
SCHEMBL15075811 0.83 PSMB5 (0.47) HDAC3HDAC1HDAC2HDAC10HDAC8
SCHEMBL15058653 0.83 PSMB5 (0.47) HDAC3HDAC1HDAC2HDAC10HDAC8
SCHEMBL15075955 0.80 HDAC3 (0.48) HDAC3HDAC1HDAC2HDAC10HDAC8
SCHEMBL16280553 0.80 HDAC3 (0.48) HDAC3HDAC1HDAC2HDAC10HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2793900-B1 ALPHA-AMINO BORONIC ACID DERIVATIVES, SELECTIVE IMMUNOPROTEASOME INHIBITORS ARES TRADING SA (CH) 2018-08-22 EP disclosed
US-9688702-B2 Alpha-amino boronic acid derivatives, selective immunoproteasome inhibitors ARES TRADING (CH) 2017-06-27 US disclosed
US-20140364396-A1 Alpha-amino boronic acid derivatives, selective immunoproteasome inhibitors ARES TRADING SA (CH) 2014-12-11 US 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 (1 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-20140364396-A1 Alpha-amino boronic acid derivatives, selective immunoproteasome inhibitors PSMB7, PSMA7, PSMB1 HDAC3 3021/4885HDAC1 895/4885HDAC2 1001/4885

“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.