SCHEMBL8282174

SCHEMBL8282174

CC(C)CN1C(=O)N(C)C(C)(C)C1=O

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 14/20 0.45
MMP1 P03956 12/20 0.45
MMP9 P14780 8/20 0.45
MMP3 P08254 7/20 0.45
MMP13 P45452 6/20 0.45
MMP8 P22894 5/20 0.45
PLA2G7 Q13093 2/20 0.44
AKR1B1 P15121 1/20 0.39
MMP7 P09237 2/20 0.37
MMP14 P50281 2/20 0.37
ADAM17 P78536 1/20 0.37
RAB9A P51151 1/20 0.36
PIK3CD O00329 1/20 0.35
LMNA P02545 1/20 0.34

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
SCHEMBL7508132 0.76 RAB9A (0.43) MMP2MMP1MMP9MMP3MMP13
SCHEMBL419379 0.76 F2 (0.48) MMP2MMP1MMP9MMP3MMP13
SCHEMBL14156368 0.75 PLA2G7 (0.44) MMP2MMP1MMP9MMP3MMP13
SCHEMBL7040815 0.74 PLA2G7 (0.50) MMP2MMP1MMP9MMP3MMP13
SCHEMBL7518193 0.74 PLA2G7 (0.50) MMP2MMP1MMP9MMP3MMP13
SCHEMBL5036973 0.74 PLA2G7 (0.46) MMP2MMP1MMP9MMP3MMP13
SCHEMBL20976949 0.74 PLA2G7 (0.46) MMP2MMP1MMP9MMP3MMP13
SCHEMBL12600734 0.74 PLA2G7 (0.46) MMP2MMP1MMP9MMP3MMP13
SCHEMBL8282907 0.73 PIK3CD (0.39) MMP2MMP1MMP9MMP3MMP13
SCHEMBL8294118 0.73 AKR1B1 (0.36) MMP2MMP1MMP9MMP3MMP13

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160137639-A1 TRIAZOLE-ISOXAZOLE COMPOUND AND MEDICAL USE THEREOF JAPAN TOBACCO INC. (JP) 2016-05-19 US disclosed
US-20160137639-A1 TRIAZOLE-ISOXAZOLE COMPOUND AND MEDICAL USE THEREOF JAPAN TOBACCO INC. (JP) 2016-05-19 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-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-7449447-B2 Peptidomimetic NS3-serine protease inhibitors of hepatitis C virus SCHERING CORPORATION (US) 2008-11-11 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-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
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
WO-2005021584-A2 NOVEL PEPTIDOMIMETIC NS3-SERINE PROTEASE INHIBITORS OF HEPATITIS C VIRUS SCHERING CORPORATION (US) 2005-03-10 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 (2 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 MMP2 945/4885MMP1 1672/4885MMP9 1469/4885
US-20160137639-A1 TRIAZOLE-ISOXAZOLE COMPOUND AND MEDICAL USE THEREOF CYP3A7, CYP2C19, CYP3A5 MMP2 1221/4885MMP1 1030/4885MMP9 449/4885

“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.