SCHEMBL1784322

SCHEMBL1784322

CCCC(C=O)NC(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.57

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 4/20 0.57
CTSK P43235 3/20 0.50
KMT2A Q03164 2/20 0.49
EPHX2 P34913 1/20 0.46
TLR2 O60603 1/20 0.45

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
SCHEMBL13688706 1.00 CASP3 (0.57) CASP3CTSKKMT2AEPHX2TLR2
SCHEMBL1784323 1.00 CASP3 (0.57) CASP3CTSKKMT2AEPHX2TLR2
SCHEMBL13652765 0.93 CTSK (0.60) CASP3CTSK
SCHEMBL16915242 0.93 CTSK (0.60) CASP3CTSK
SCHEMBL10187000 0.91 CASP3 (0.60) CASP3CTSKKMT2AEPHX2
SCHEMBL13570148 0.91 CASP3 (0.60) CASP3CTSKKMT2AEPHX2
SCHEMBL16915227 0.91 CTSK (0.55) CASP3CTSKKMT2ATLR2
SCHEMBL18241728 0.91 CTSK (0.55) CASP3CTSKKMT2ATLR2
SCHEMBL29352794 0.89 CASP3 (0.55) CASP3CTSKKMT2AEPHX2
SCHEMBL27590333 0.88 CASP3 (0.58) CASP3KMT2AEPHX2TLR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE43298-E1 Peptides as NS3-serine protease inhibitors of hepatitis C virus SCHERING CORPORATION (US) 2012-04-03 US disclosed
US-RE43298-E1 Peptides as NS3-serine protease inhibitors of hepatitis C virus SCHERING CORPORATION (US) 2012-04-03 US disclosed
US-20110117057-A1 NOVEL PEPTIDES AS NS3-SERINE PROTEASE INHIBITORS OF HEPATITIS C VIRUS SCHERING CORPORATION (US) 2011-05-19 US disclosed
US-20110117057-A1 NOVEL PEPTIDES AS NS3-SERINE PROTEASE INHIBITORS OF HEPATITIS C VIRUS SCHERING CORPORATION (US) 2011-05-19 US disclosed
EP-1481000-B1 NOVEL PEPTIDES AS NS3-SERINE PROTEASE INHIBITORS OF HEPATITIS C VIRUS SCHERING CORP (US) 2010-06-02 EP disclosed
EP-1385870-B1 PEPTIDES AS NS3-SERINE PROTEASE INHIBITORS OF HEPATITIS C VIRUS SCHERING CORP (US) 2010-03-17 EP disclosed
US-7595299-B2 Peptides as NS3-serine protease inhibitors of hepatitis C virus SCHERING CORPORATION (US) 2009-09-29 US disclosed
US-7592316-B2 Peptides as NS3-serine protease inhibitors of hepatitis C virus SCHERING CORPORATION (US) 2009-09-22 US disclosed
US-20070232549-A1 Novel peptides as NS3-serine protease inhibitors of hepatitis C virus SCHERING CORPORATION 2007-10-04 US disclosed
US-7244721-B2 Peptides as NS3-serine protease inhibitors of hepatitis C virus SCHERING CORPORATION (US) 2007-07-17 US disclosed
WO-2002008187-A9 NOVEL PEPTIDES AS NS3-SERINE PROTEASE INHIBITORS OF HEPATITIS C VIRUS SCHERING CORP (US) 2003-01-03 WO disclosed
US-20020160962-A1 Novel peptides as NS3-serine protease inhibitors of hepatitis C virus MERCK SHARP & DOHME LLC 2002-10-31 US disclosed
US-20020068702-A1 Novel peptides as NS3-serine protease inhibitors of hepatitis C virus DENDREON PHARMACEUTICALS, INC. 2002-06-06 US disclosed
US-6376649-B1 REACTING A N-TERMINALLY BLOCKED AMINOALDEHYDE WITH AN ISONITRILE AND A CARBOXYLIC ACID TO GIVE AN AMINO-ALPHA-ACYLOXYCARBOXAMIDE; REMOVING THE ACYLOXY GROUP, OR REMOVING THE PROTECTING GROUP GIVE THE DERIVATIVE. CORVAS INTERNATIONAL, INC. 2002-04-23 US disclosed
WO-2002008244-A2 PEPTIDES AS NS3-SERINE PROTEASE INHIBITORS OF HEPATITIS C VIRUS SCHERING CORPORATION (US) 2002-01-31 WO disclosed
WO-2002008187-A1 NOVEL PEPTIDES AS NS3-SERINE PROTEASE INHIBITORS OF HEPATITIS C VIRUS SCHERING CORPORATION (US) 2002-01-31 WO disclosed
WO-2002008251-A2 PEPTIDES AS NS3-SERINE PROTEASE INHIBITORS OF HEPATITIS C VIRUS CORVAS INTERNATIONAL, INC. (US) 2002-01-31 WO disclosed
WO-2002008256-A2 PEPTIDES AS NS3-SERINE PROTEASE INHIBITORS OF HEPATITIS C VIRUS SCHERING CORPORATION (US) 2002-01-31 WO disclosed
EP-1140854-A2 METHODS FOR THE SYNTHESIS OF ALPHA-HYDROXY-BETA-AMINO ACID AND AMIDE DERIVATIVES CORVAS INTERNATIONAL, INC. (US) 2001-10-10 EP disclosed
WO-2000035868-A2 METHODS FOR THE SYNTHESIS OF ALPHA-HYDROXY-BETA-AMINO ACID AND AMIDE DERIVATIVES CORVAS INTERNATIONAL, INC. (US) 2000-06-22 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 (4 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-20020068702-A1 Novel peptides as NS3-serine protease inhibitors of hepatitis C virus VIP, TMPRSS15, TMPRSS11D CASP3 389/4885CTSK 305/4885KMT2A 3141/4885
US-20020160962-A1 Novel peptides as NS3-serine protease inhibitors of hepatitis C virus VIP, HPN, HAVCR2 CASP3 323/4885CTSK 244/4885KMT2A 3594/4885
US-20070232549-A1 Novel peptides as NS3-serine protease inhibitors of hepatitis C virus HPN, TMPRSS15, VIP CASP3 282/4885CTSK 243/4885KMT2A 3449/4885
US-20110117057-A1 NOVEL PEPTIDES AS NS3-SERINE PROTEASE INHIBITORS OF HEPATITIS C VIRUS HPN, TMPRSS15, VIP CASP3 282/4885CTSK 243/4885KMT2A 3449/4885

“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.