SCHEMBL3729555

SCHEMBL3729555

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

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSK P43235 6/20 0.54
CTSS P25774 4/20 0.54
AAK1 Q2M2I8 2/20 0.48
JAK3 P52333 1/20 0.46
BTK Q06187 1/20 0.46
CACNA1B Q00975 3/20 0.45
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
CTSL P07711 2/20 0.39
CTSB P07858 2/20 0.39
CTSH P09668 1/20 0.38
REN P00797 2/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL742796 1.00 CTSK (0.54) CTSKCTSSAAK1JAK3BTK
SCHEMBL16119292 0.97 CTSK (0.57) CTSKCTSSAAK1JAK3BTK
SCHEMBL3611757 0.96 CTSK (0.59) CTSKCTSSAAK1JAK3BTK
SCHEMBL25348435 0.96 CTSK (0.59) CTSKCTSSAAK1JAK3BTK
SCHEMBL3611760 0.96 CTSK (0.59) CTSKCTSSAAK1JAK3BTK
SCHEMBL27076688 0.95 CTSK (0.56) CTSKCTSSAAK1JAK3BTK
SCHEMBL9102937 0.95 CTSK (0.56) CTSKCTSSAAK1JAK3BTK
SCHEMBL7856949 0.88 CTSK (0.57) CTSKCTSSAAK1CACNA1BHDAC4
SCHEMBL18327535 0.88 BTK (0.44) CTSKCTSSAAK1JAK3BTK
SCHEMBL18325176 0.88 BTK (0.44) CTSKCTSSAAK1JAK3BTK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2014061034-A1 PROCESS FOR PREPARATION OF BOCEPREVIR AND INTERMEDIATES THEREOF MSN LABORATORIES LIMITED (IN) 2014-04-24 WO claimed
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-2014061034-A1 PROCESS FOR PREPARATION OF BOCEPREVIR AND INTERMEDIATES THEREOF MSN LABORATORIES LIMITED (IN) 2014-04-24 WO 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-2006130607-A2 CONTROLLED-RELEASE FORMULATION USEFUL FOR TREATING DISORDERS ASSOCIATED WITH HEPATITIS C VIRUS 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-2005113581-A1 SUBSTITUTED PROLINES AS INHIBITORS OF HEPATITIS C VIRUS NS3 SERINE PROTEASE SCHERING CORPORATION (US) 2005-12-01 WO disclosed
WO-2005107745-A1 AN INHIBITOR OF HEPATITIS C SCHERING CORPORATION (US) 2005-11-17 WO disclosed
WO-2005087725-A2 NOVEL COMPOUNDS AS INHIBITORS OF HEPATITIS C VIRUS NS3 SERINE PROTEASE SCHERING CORPORATION (US) 2005-09-22 WO disclosed
WO-2005087721-A2 COMPOUNDS AS INHIBITORS OF HEPATITIS C VIRUS NS3 SERINE PROTEASE SCHERING CORPORATION (US) 2005-09-22 WO disclosed
WO-2005085197-A1 CYCLOBUTENEDIONE GROUPS-CONTAINING COMPOUNDS AS INHIBITORS OF HEPATITIS C VIRUS NS3 SERINE PROTEASE SCHERING CORPORATION (US) 2005-09-15 WO disclosed
WO-2005085275-A1 INHIBITORS OF HEPATITIS C VIRUS NS3 PROTEASE 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