SCHEMBL16464697

SCHEMBL16464697

COC(=O)[C@H](Cc1ccccn1)NC(=O)OC(C)(C)C

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 4/20 0.60
HDAC1 Q13547 2/20 0.60
NLRP3 Q96P20 1/20 0.53
KLK5 Q9Y337 2/20 0.51
CTSS P25774 3/20 0.46
CTSK P43235 2/20 0.46
CTSL P07711 1/20 0.46
CTSB P07858 1/20 0.46
ACE P12821 1/20 0.44
TACR1 P25103 1/20 0.44
PTPRA P18433 1/20 0.43
NFKB1 P19838 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
PPARA Q07869 2/20 0.42
PPARG P37231 1/20 0.42

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
SCHEMBL16464699 1.00 HDAC6 (0.60) HDAC6HDAC1NLRP3KLK5CTSS
SCHEMBL3823696 0.91 HDAC6 (0.52) HDAC6HDAC1NLRP3KLK5CTSS
SCHEMBL268002 0.89 ACE (0.56) HDAC6HDAC1CTSSCTSKCTSL
SCHEMBL215179 0.89 ACE (0.56) HDAC6HDAC1CTSSCTSKCTSL
SCHEMBL29573143 0.89 ACE (0.56) HDAC6HDAC1CTSSCTSKCTSL
SCHEMBL29613833 0.89 ACE (0.56) HDAC6HDAC1CTSSCTSKCTSL
SCHEMBL215178 0.89 ACE (0.56) HDAC6HDAC1CTSSCTSKCTSL
SCHEMBL28580626 0.89 HDAC6 (0.46) HDAC6HDAC1NLRP3CTSSCTSK
SCHEMBL28580625 0.89 HDAC6 (0.46) HDAC6HDAC1NLRP3CTSSCTSK
SCHEMBL29166090 0.88 HDAC6 (0.66) HDAC6HDAC1NLRP3PTPRA

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
US-20150274777-A1 KETOAMIDE IMMUNOPROTEASOME INHIBITORS HOFFMANN-LA ROCHE INC. 2015-10-01 US disclosed
EP-2906581-A1 KETOAMIDE IMMUNOPROTEASOME INHIBITORS F. Hoffmann-La Roche AG (CH) 2015-08-19 EP disclosed
WO-2014056748-A1 KETOAMIDE IMMUNOPROTEASOME INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2014-04-17 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 (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-20150274777-A1 KETOAMIDE IMMUNOPROTEASOME INHIBITORS PSMB7, PSMB5, PSMC2 HDAC6 171/4885HDAC1 35/4885NLRP3 1648/4885

“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.