SCHEMBL8282993

SCHEMBL8282993

CN1CC(=O)N(CC(NC(=O)OC(C)(C)C)C(C)(C)C)C1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 2/20 0.39
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA7 P43166 1/20 0.38
ALDH1A1 P00352 1/20 0.36
RECQL P46063 1/20 0.36
CYP2D6 P10635 1/20 0.35
GFER P55789 1/20 0.34
AKT1 P31749 1/20 0.34
PLA2G7 Q13093 1/20 0.34
CTSK P43235 5/20 0.34
CTSL P07711 1/20 0.34
CTSB P07858 1/20 0.34
CTSS P25774 1/20 0.33
GAA P10253 1/20 0.33
PREP P48147 1/20 0.32
HDAC1 Q13547 1/20 0.32
KDM4E B2RXH2 1/20 0.32
LMNA P02545 1/20 0.32
SCN9A Q15858 1/20 0.32

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
SCHEMBL13622672 0.80 CA1 (0.40) CA1CA2CA7ALDH1A1CYP2D6
SCHEMBL8041675 0.78 GAA (0.40) CA1CA2CA7CYP2D6AKT1
SCHEMBL13399550 0.78 GAA (0.40) CA1CA2CA7CYP2D6AKT1
SCHEMBL8282118 0.78 HDAC6 (0.43) HDAC6ALDH1A1RECQLGFERPLA2G7
SCHEMBL24796269 0.76 DRD2 (0.44) HDAC6ALDH1A1RECQLGFERAKT1
SCHEMBL8282957 0.73 ALDH1A1 (0.43) ALDH1A1AKT1CTSKCTSLCTSB
SCHEMBL8283591 0.73 PIK3CD (0.45) CA1CA2CA7ALDH1A1CYP2D6
SCHEMBL8178666 0.73 ALDH1A1 (0.43) ALDH1A1AKT1CTSKCTSLCTSB
SCHEMBL13622642 0.73 ALDH1A1 (0.43) ALDH1A1AKT1CTSKCTSLCTSB
SCHEMBL13622668 0.73 PIK3CD (0.45) CA1CA2CA7ALDH1A1CYP2D6

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1730142-B1 NOVEL KETOAMIDES WITH CYCLIC P4'S AS INHIBITORS OF NS3 SERINE PROTEASE OF HEPATITIS C VIRUS SCHERING CORP (US) 2011-06-29 EP disclosed
US-7619094-B2 Ketoamides with cyclic P4's as inhibitors of NS3 serine protease of hepatitis C virus SCHERING CORPORATION (US) 2009-11-17 US disclosed
US-7619094-B2 Ketoamides with cyclic P4's as inhibitors of NS3 serine protease of hepatitis C virus SCHERING CORPORATION (US) 2009-11-17 US disclosed
US-20070093430-A1 Novel ketoamides with cyclic P4's as inhibitors of NS3 serine protease of hepatitis C virus MERCK SHARP & DOHME CORP. 2007-04-26 US disclosed
US-7173057-B2 Ketoamides with cyclic P4'S as inhibitors of NS3 protease of hepatitis C virus SCHERING CORPORATION (US) 2007-02-06 US 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

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-20070093430-A1 Novel ketoamides with cyclic P4's as inhibitors of NS3 serine protease of hepatitis C virus PREP, PRSS1, P4HB HDAC6 1204/4885CA1 1718/4885CA2 2767/4885

“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.