SCHEMBL8062883

SCHEMBL8062883

CC(C)(C)OC(=O)N[C@@H](CCc1ccccc1)C(=O)OCc1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSS P25774 4/20 0.65
CTSK P43235 4/20 0.65
PPARA Q07869 3/20 0.57
SYK P43405 1/20 0.54
CTSL P07711 2/20 0.52
PPARG P37231 2/20 0.52
CTSB P07858 1/20 0.52
KLK7 P49862 3/20 0.50
MAPT P10636 1/20 0.50
ACE P12821 1/20 0.50
KLK5 Q9Y337 2/20 0.49

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
SCHEMBL3881683 1.00 CTSS (0.65) CTSSCTSKPPARASYKCTSL
SCHEMBL8696309 1.00 CTSS (0.65) CTSSCTSKPPARASYKCTSL
SCHEMBL22502760 0.95 CTSK (0.60) CTSSCTSKPPARASYKCTSL
SCHEMBL17531352 0.94 CTSK (0.59) CTSSCTSKPPARASYKCTSL
SCHEMBL30976177 0.92 CTSK (0.57) CTSSCTSKPPARASYKPPARG
SCHEMBL14135477 0.91 CTSK (0.56) CTSSCTSKPPARASYKCTSL
SCHEMBL25054282 0.91 CTSK (0.58) CTSSCTSKPPARASYKCTSL
SCHEMBL16464289 0.91 CTSK (0.58) CTSSCTSKPPARASYKCTSL
SCHEMBL16464291 0.91 CTSK (0.58) CTSSCTSKPPARASYKCTSL
Serine SCHEMBL7734135 0.90 CTSK (0.55) CTSSCTSKPPARASYKCTSL

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 9 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
CN-104837858-A Ketoamide immunoproteasome inhibitors HOFFMANN LA ROCHE 2015-08-12 CN disclosed
WO-2014056748-A1 KETOAMIDE IMMUNOPROTEASOME INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2014-04-17 WO disclosed
US-7902218-B2 Inhibit production of A beta -peptide; neurological disorders, Alzheimer's disease; (S)-2-((S)-3-Acetamido-3-((R)-sec-butyl)-2-oxopyrrolidin-1-yl)-N-((1R,2S)-3-(3,5-difluorophenyl)-1-hydroxy-1-((R)-1,2,3,4-tetrahydroisoquinolin-3-yl)propan-2-yl)-4-phenylbutanamide BRISTOL-MYERS SQUIBB COMPANY (US) 2011-03-08 US disclosed
US-7557137-B2 Gamma-lactams as beta-secretase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2009-07-07 US disclosed
US-20080153868-A1 Substituted Tetrahydroisoquinolines as Beta-secretase Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2008-06-26 US disclosed
US-7388007-B2 Gamma-lactams as beta-secretase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2008-06-17 US disclosed
US-20070265331-A1 Novel gamma-lactams as beta-secretase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2007-11-15 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 (3 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-20080153868-A1 Substituted Tetrahydroisoquinolines as Beta-secretase Inhibitors BACE1, APP, BACE2 CTSS 373/4885CTSK 1359/4885PPARA 3454/4885
US-20070265331-A1 Novel gamma-lactams as beta-secretase inhibitors BACE1, APP, BACE2 CTSS 114/4885CTSK 525/4885PPARA 3474/4885
US-20150274777-A1 KETOAMIDE IMMUNOPROTEASOME INHIBITORS PSMB7, PSMB5, PSMC2 CTSS 131/4885CTSK 114/4885PPARA 4499/4885

“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.