SCHEMBL5639596

SCHEMBL5639596

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

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 6/20 0.53
PPARG P37231 5/20 0.48
ACE P12821 1/20 0.47
CTSS P25774 4/20 0.45
SYK P43405 1/20 0.45
PPARD Q03181 2/20 0.44
CTSK P43235 3/20 0.43
CTSL P07711 2/20 0.43
CTSB P07858 1/20 0.43
KLK7 P49862 2/20 0.42
KLK5 Q9Y337 2/20 0.42
MAPT P10636 2/20 0.41

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
SCHEMBL6089700 0.93 PPARA (0.47) PPARAPPARGACECTSSSYK
SCHEMBL8893121 0.85 PPARA (0.54) PPARAPPARGACECTSSSYK
SCHEMBL8893110 0.85 PPARA (0.54) PPARAPPARGACECTSSSYK
SCHEMBL13574478 0.83 MDM4 (0.46) PPARAPPARGACEMAPT
SCHEMBL12856084 0.82 ACE (0.54) ACECTSLKLK5
SCHEMBL22469444 0.82 MAPT (0.39) PPARAPPARGCTSSSYKCTSL
SCHEMBL22469361 0.82 MAPT (0.39) PPARAPPARGCTSSSYKCTSL
SCHEMBL22469446 0.82 MAPT (0.39) PPARAPPARGCTSSSYKCTSL
SCHEMBL22469359 0.82 MAPT (0.39) PPARAPPARGCTSSSYKCTSL
SCHEMBL22469357 0.82 MAPT (0.39) PPARAPPARGCTSSSYKCTSL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110150835-A1 Macrocyclic Inhibitors of Hepatitis C Virus NS3 Serine Protease SCHERING CORPORATION 2011-06-23 US disclosed
EP-1192136-B1 OLIGOMERS AND POLYMERS OF CYCLIC IMINO CARBOXYLIC ACIDS WISCONSIN ALUMNI RES FOUND (US) 2011-05-18 EP disclosed
EP-1664092-B1 MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS NS3 SERINE PROTEASE SCHERING CORP (US) 2011-02-02 EP disclosed
US-7592419-B2 Macrocyclic inhibitors of hepatitis C virus NS3-serine protease SCHERING CORPORATION (US) 2009-09-22 US disclosed
US-7592419-B2 Macrocyclic inhibitors of hepatitis C virus NS3-serine protease SCHERING CORPORATION (US) 2009-09-22 US disclosed
WO-2009058856-A1 MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS NS3 SERINE PROTEASE SCHERING CORPORATION (US) 2009-05-07 WO disclosed
US-7304165-B2 Oligomers and polymers of di-substituted cyclic imino carboxylic acids WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2007-12-04 US disclosed
US-7304165-B2 Oligomers and polymers of di-substituted cyclic imino carboxylic acids WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2007-12-04 US disclosed
US-7304165-B2 Oligomers and polymers of di-substituted cyclic imino carboxylic acids WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2007-12-04 US disclosed
US-6914048-B2 Method for delivery of molecules to intracellular targets WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2005-07-05 US disclosed
WO-2005030796-A1 MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS NS3 SERINE PROTEASE SCHERING CORPORATION (US) 2005-04-07 WO disclosed
US-20040152133-A1 Oligomers and polymers of di-substituted cyclic imino carboxylic acids GELLMAN SAMUEL H (US) 2004-08-05 US disclosed
US-6727368-B1 PYRROLIDINE-3-CARBOXYLIC ACID MONOMERS; POLYLACTAMS; COMBINATORIAL LIBRARIES WISCONSIN ALUMNI RESEARCH FOUNDATION 2004-04-27 US disclosed
US-6710186-B2 CONFORMATIONALLY-RESTRICTED; ANALOGOUS TO POLY(PROLINE) II HELICAL STRUCTURE WISCONSIN ALUMNI RESEARCH FOUNDATION 2004-03-23 US disclosed
WO-2003024477-A1 METHOD FOR DELIVERY OF MOLECULES TO INTRACELLULAR TARGETS WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2003-03-27 WO disclosed
EP-1192136-A2 OLIGOMERS AND POLYMERS OF CYCLIC IMINO CARBOXYLIC ACIDS WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2002-04-03 EP disclosed
US-20020032334-A1 Oligomers and polymers of di-substituted cyclic imino carboxylic acids WISCONSIN ALUMNI RESEARCH FOUNDATION 2002-03-14 US disclosed
WO-2000076974-A2 OLIGOMERS AND POLYMERS OF CYCLIC IMINO CARBOXYLIC ACIDS WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2000-12-21 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 (3 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-20020032334-A1 Oligomers and polymers of di-substituted cyclic imino carboxylic acids PCNA, PAICS, INHA PPARA 2627/4885PPARG 3602/4885ACE 3022/4885
US-20040152133-A1 Oligomers and polymers of di-substituted cyclic imino carboxylic acids PCNA, PAICS, INHA PPARA 2627/4885PPARG 3602/4885ACE 3022/4885
US-20110150835-A1 Macrocyclic Inhibitors of Hepatitis C Virus NS3 Serine Protease TMPRSS15, SPINT2, HPN PPARA 3540/4885PPARG 4210/4885ACE 25/4885

“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.