SCHEMBL3881683

SCHEMBL3881683

CC(C)(C)OC(=O)NC(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
SCHEMBL8062883 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 13 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-20130177851-A1 PHOTORESIST COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-07-11 US disclosed
US-20130177851-A1 PHOTORESIST COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-07-11 US disclosed
US-8475999-B2 Compound and photoresist composition containing the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-07-02 US disclosed
US-8475999-B2 Compound and photoresist composition containing the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-07-02 US disclosed
US-20120309690-A1 PROSTAGLANDIN-F2 ALPHA RECEPTOR MODULATORS AND USES THEREOF LUBELL WILLIAM D (CA) 2012-12-06 US disclosed
US-20110039209-A1 COMPOUND AND PHOTORESIST COMPOSITION CONTAINING THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-02-17 US disclosed
US-20110039209-A1 COMPOUND AND PHOTORESIST COMPOSITION CONTAINING THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-02-17 US disclosed
US-7557137-B2 Gamma-lactams as beta-secretase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2009-07-07 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 (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-20120309690-A1 PROSTAGLANDIN-F2 ALPHA RECEPTOR MODULATORS AND USES THEREOF PTGFR, PTGER1, PTGER2 CTSS 4107/4885CTSK 3673/4885PPARA 127/4885
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
US-20110039209-A1 COMPOUND AND PHOTORESIST COMPOSITION CONTAINING THE SAME RCOR3, RCN1, HRH4 CTSS 3062/4885CTSK 2456/4885PPARA 2009/4885

“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.