SCHEMBL15569246

SCHEMBL15569246

COCC(NC(=O)OC(C)(C)C)C(=O)OCc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 3/20 0.60
CTSS P25774 6/20 0.60
SYK P43405 1/20 0.57
CTSK P43235 7/20 0.55
CTSL P07711 3/20 0.55
CTSB P07858 2/20 0.55
PPARG P37231 2/20 0.55
KLK5 Q9Y337 3/20 0.53
KLK7 P49862 2/20 0.53
ACE P12821 1/20 0.50
CACNA1B Q00975 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
SCHEMBL31372427 1.00 PPARA (0.60) PPARACTSSSYKCTSKCTSL
SCHEMBL8138595 1.00 PPARA (0.60) PPARACTSSSYKCTSKCTSL
SCHEMBL8138593 0.96 CTSS (0.59) PPARACTSSSYKCTSKCTSL
SCHEMBL16464139 0.92 CTSK (0.54) PPARACTSSSYKCTSKCTSL
SCHEMBL16464142 0.92 CTSK (0.54) PPARACTSSSYKCTSKCTSL
SCHEMBL30447913 0.91 PPARA (0.57) PPARACTSSSYKCTSKCTSL
SCHEMBL8129917 0.91 CTSS (0.57) PPARACTSSCTSKCTSLCTSB
SCHEMBL7518373 0.90 PPARA (0.74) PPARACTSSSYKCTSKCTSL
SCHEMBL6436359 0.90 CTSK (0.60) PPARACTSSSYKCTSKCTSL
SCHEMBL19853661 0.90 PPARA (0.74) PPARACTSSSYKCTSKCTSL

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-20160347792-A1 FLUORINATED EPOXYKETONE-BASED COMPOUNDS AND USES THEREOF AS PROTEASOME INHIBITORS TRILLIUM THERAPEUTICS INC. (CA) 2016-12-01 US disclosed
US-9441012-B2 Fluorinated epoxyketone-based compounds and uses thereof as proteasome inhibitors TRILLIUM THERAPEUTICS INC. (CA) 2016-09-13 US disclosed
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
US-20150203534-A1 FLUORINATED EPOXYKETONE-BASED COMPOUNDS AND USES THEREOF AS PROTEASOME INHIBITORS FLUORINOV PHARMA INC. (CA) 2015-07-23 US disclosed
EP-2885314-A1 FLUORINATED EPOXYKETONE-BASED COMPOUNDS AND USES THEREOF AS PROTEASOME INHIBITORS Fluorinov Pharma Inc. (CA) 2015-06-24 EP disclosed
WO-2014056748-A1 KETOAMIDE IMMUNOPROTEASOME INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2014-04-17 WO disclosed
WO-2014026282-A1 FLUORINATED EPOXYKETONE-BASED COMPOUNDS AND USES THEREOF AS PROTEASOME INHIBITORS SLASSI ABDELMALIK (CA) 2014-02-20 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 (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-20160347792-A1 FLUORINATED EPOXYKETONE-BASED COMPOUNDS AND USES THEREOF AS PROTEASOME INHIBITORS PSMB5, PSMB1, PSMB7 PPARA 2426/4885CTSS 1116/4885SYK 3227/4885
US-20150274777-A1 KETOAMIDE IMMUNOPROTEASOME INHIBITORS PSMB7, PSMB5, PSMC2 PPARA 4499/4885CTSS 131/4885SYK 3641/4885
US-20150203534-A1 FLUORINATED EPOXYKETONE-BASED COMPOUNDS AND USES THEREOF AS PROTEASOME INHIBITORS PSMB5, PSMB1, PSMB7 PPARA 2465/4885CTSS 1197/4885SYK 3218/4885

“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.