SCHEMBL3666041

SCHEMBL3666041

CC(C)(C)OC(=O)NC(C=O)CC1CCC1

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CTSK P43235 13/20 0.55
CTSS P25774 2/20 0.50
CTSL P07711 1/20 0.47
CTSB P07858 1/20 0.47
KMT2A Q03164 1/20 0.40
AAK1 Q2M2I8 2/20 0.40
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39

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
SCHEMBL743583 1.00 CTSK (0.55) CTSKCTSSCTSLCTSBKMT2A
SCHEMBL13305814 1.00 CTSK (0.55) CTSKCTSSCTSLCTSBKMT2A
SCHEMBL1861194 0.96 CTSK (0.55) CTSKCTSSCTSLCTSBKMT2A
SCHEMBL1861195 0.96 CTSK (0.55) CTSKCTSSCTSLCTSBKMT2A
SCHEMBL8365044 0.96 CTSK (0.55) CTSKCTSSCTSLCTSBKMT2A
SCHEMBL8354995 0.94 CTSK (0.57) CTSKCTSSCTSLCTSBKMT2A
SCHEMBL2773107 0.94 CTSK (0.57) CTSKCTSSCTSLCTSBKMT2A
SCHEMBL971301 0.87 CTSK (0.51) CTSKCTSSCTSLCTSBKMT2A
SCHEMBL971299 0.87 CTSK (0.51) CTSKCTSSCTSLCTSBKMT2A
SCHEMBL8246683 0.87 CTSK (0.54) CTSKCTSSCTSLCTSBKMT2A

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 89 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1919478-B1 COMBINATION OF HCV PROTEASE INHIBITORS WITH A SURFACTANT MERCK SHARP & DOHME (US) 2016-03-23 EP disclosed
EP-1891089-B1 HCV protease inhibitors in combination with food MERCK SHARP & DOHME (US) 2014-11-05 EP disclosed
WO-2014083575-A2 IMPROVED PROCESS FOR THE PREPARATION OF BOCEPREVIR INTERMEDIATE MYLAN LABORATORIES LTD (IN) 2014-06-05 WO disclosed
EP-2238100-B1 PROCESS FOR THE SYNTHESIS OF 3-AMINO-3-CYCLOBUTYLMETHYL-2-HYDROXYPROPIONAMIDE OR SALTS THEREOF MERCK SHARP & DOHME (US) 2014-03-26 EP disclosed
US-8211897-B2 Inhibitors of cathepsin B VIROBAY, INC. (US) 2012-07-03 US disclosed
US-RE43298-E1 Peptides as NS3-serine protease inhibitors of hepatitis C virus SCHERING CORPORATION (US) 2012-04-03 US disclosed
US-8119602-B2 Administration of HCV protease inhibitors in combination with food to improve bioavailability SCHERING CORPORATION (US) 2012-02-21 US disclosed
US-8119602-B2 Administration of HCV protease inhibitors in combination with food to improve bioavailability SCHERING CORPORATION (US) 2012-02-21 US disclosed
US-8067379-B2 Sulfur compounds as inhibitors of hepatitis C virus NS3 serine protease SCHERING CORPORATION (US) 2011-11-29 US disclosed
US-8067379-B2 Sulfur compounds as inhibitors of hepatitis C virus NS3 serine protease SCHERING CORPORATION (US) 2011-11-29 US disclosed
WO-2006130686-A2 HCV PROTEASE INHIBITORS IN COMBINATION WITH FOOD SCHERING CORPORATION (US) 2006-12-07 WO disclosed
WO-2006130666-A2 MEDICAMENTS AND METHODS COMBINING A HCV PROTEASE INHIBITOR AND AN AKR COMPETITOR SCHERING CORPORATION (US) 2006-12-07 WO disclosed
WO-2006130607-A2 CONTROLLED-RELEASE FORMULATION USEFUL FOR TREATING DISORDERS ASSOCIATED WITH HEPATITIS C VIRUS SCHERING CORPORATION (US) 2006-12-07 WO disclosed
WO-2006130553-A2 HCV PROTEASE INHIBITORS SCHERING CORPORATION (US) 2006-12-07 WO disclosed
WO-2006130687-A2 LIVER/PLASMA CONCENTRATION RATIO FOR DOSING HEPATITIS C VIRUS PROTEASE INHIBITOR SCHERING CORPORATION (US) 2006-12-07 WO disclosed
WO-2005107745-A1 AN INHIBITOR OF HEPATITIS C SCHERING CORPORATION (US) 2005-11-17 WO disclosed
WO-2005087721-A2 COMPOUNDS AS INHIBITORS OF HEPATITIS C VIRUS NS3 SERINE PROTEASE SCHERING CORPORATION (US) 2005-09-22 WO disclosed
WO-2005087731-A1 SULFUR COMPOUNDS AS INHIBITORS OF HEPATITIS C VIRUS NS3 SERINE PROTEASE SCHERING CORPORATION (US) 2005-09-22 WO disclosed
WO-2005085242-A1 NOVEL KETOAMIDES WITH CYCLIC P4'S AS INHIBITORS OF NS3 SERINE PROTEASE OF HEPATITIS C VIRUS SCHERING CORPORATION (US) 2005-09-15 WO disclosed
WO-2003062265-A2 NOVEL PEPTIDES AS NS3-SERINE PROTEASE INHIBITORS OF HEPATITIS C VIRUS SCHERING CORPORATION (US) 2003-07-31 WO disclosed