SCHEMBL7420117

SCHEMBL7420117

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

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSK P43235 7/20 0.56
POLB P06746 1/20 0.53
GPR55 Q9Y2T6 1/20 0.53
MEN1 O00255 1/20 0.52
RECQL P46063 1/20 0.52
KMT2A Q03164 1/20 0.52
MAPT P10636 2/20 0.52
NPSR1 Q6W5P4 2/20 0.52
TDP1 Q9NUW8 2/20 0.52
XBP1 P17861 1/20 0.52
REN P00797 1/20 0.51
CTSS P25774 2/20 0.50
CTSL P07711 1/20 0.50
KDM4E B2RXH2 1/20 0.50

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
SCHEMBL16464515 1.00 CTSK (0.56) CTSKPOLBGPR55MEN1RECQL
SCHEMBL16984912 0.90 CTSK (0.65) CTSKRENCTSSCTSL
SCHEMBL25977611 0.90 CTSK (0.65) CTSKRENCTSSCTSL
SCHEMBL4576421 0.90 CTSK (0.65) CTSKRENCTSSCTSL
SCHEMBL12214454 0.90 CTSK (0.64) CTSKPOLBGPR55MEN1RECQL
SCHEMBL13519505 0.90 CTSK (0.64) CTSKPOLBGPR55MEN1RECQL
SCHEMBL12873002 0.90 CTSK (0.64) CTSKPOLBGPR55MEN1RECQL
SCHEMBL24049735 0.89 CTSK (0.57) CTSKPOLBGPR55MEN1RECQL
SCHEMBL11566964 0.89 CTSK (0.57) CTSKPOLBGPR55MEN1RECQL
SCHEMBL11761731 0.89 CTSK (0.62) CTSKPOLBGPR55MEN1RECQL

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 7 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
US-6187905-B1 PEPTIDE COMPOUND WHICH INHIBITS VIRAL PROTEINASES; VIRICIDES FOR HEPATITIS C, HEPATITIS G, AND HUMAN GB VIRUSES HOFFMANN-LA ROCHE INC. 2001-02-13 US disclosed
US-6018020-A VIRICIDES WHICH ARE PROTEASE INHIBITORS AGAINST HEPATITIS C AND HEPATITIS G HOFFMAN-LA ROCHE INC. (US) 2000-01-25 US disclosed
EP-0941233-A2 ANTIVIRAL PEPTIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 1999-09-15 EP disclosed
WO-1998022496-A2 ANTIVIRAL PEPTIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 1998-05-28 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 CTSK 114/4885POLB 1457/4885GPR55 1627/4885

“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.