SCHEMBL1784927

SCHEMBL1784927

CCC[C@H](N)C(O)C(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.46
FABP5 Q01469 3/20 0.42
FABP7 O15540 2/20 0.42
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
EPHX2 P34913 1/20 0.41
CASP3 P42574 1/20 0.39
TLR2 O60603 3/20 0.38

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
SCHEMBL28375820 0.85 KMT2A (0.49) KMT2AFABP5FABP7CA1CA2
SCHEMBL9498879 0.80 KMT2A (0.44) KMT2AFABP5FABP7CA1CA2
SCHEMBL8236718 0.79 KMT2A (0.51) KMT2AFABP5FABP7CA1CA2
SCHEMBL17753728 0.79 KMT2A (0.54) KMT2AFABP5FABP7CA1CA2
SCHEMBL7037298 0.79 KMT2A (0.54) KMT2AFABP5FABP7CA1CA2
Hydrochloric Acid SCHEMBL2524994 0.77 KMT2A (0.53) KMT2AEPHX2CASP3TLR2
Bromide SCHEMBL15640173 0.77 KMT2A (0.53) KMT2AEPHX2CASP3TLR2
SCHEMBL6788808 0.76 KMT2A (0.52) KMT2AEPHX2CASP3TLR2
SCHEMBL28335815 0.76 KMT2A (0.51) KMT2AFABP5FABP7CA1CA2
SCHEMBL28758363 0.76 KMT2A (0.54) KMT2AFABP5FABP7CA1CA2

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 33 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-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
US-20070032433-A1 Novel peptides as NS3-serine protease inhibitors of hepatitis C virus SCHERING CORPORATION CORVAS INTERNATIONAL, LTD. 2007-02-08 US disclosed
US-7169760-B2 Peptides as NS3-serine protease inhibitors of hepatitis C virus SCHERING CORPORATION (US) 2007-01-30 US disclosed
US-20030036501-A1 Novel peptides as NS3-serine protease inhibitors of hepatitis C virus DENDREON PHARMACEUTICALS LLC 2003-02-20 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-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 (6 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 KMT2A 3141/4885FABP5 1652/4885FABP7 2739/4885
US-20020160962-A1 Novel peptides as NS3-serine protease inhibitors of hepatitis C virus VIP, HPN, HAVCR2 KMT2A 3594/4885FABP5 1716/4885FABP7 2704/4885
US-20070232549-A1 Novel peptides as NS3-serine protease inhibitors of hepatitis C virus HPN, TMPRSS15, VIP KMT2A 3449/4885FABP5 1975/4885FABP7 2841/4885
US-20110117057-A1 NOVEL PEPTIDES AS NS3-SERINE PROTEASE INHIBITORS OF HEPATITIS C VIRUS HPN, TMPRSS15, VIP KMT2A 3449/4885FABP5 1975/4885FABP7 2841/4885
US-20030036501-A1 Novel peptides as NS3-serine protease inhibitors of hepatitis C virus VIP, HPN, TMPRSS15 KMT2A 3584/4885FABP5 1688/4885FABP7 2721/4885
US-20070032433-A1 Novel peptides as NS3-serine protease inhibitors of hepatitis C virus HPN, TMPRSS15, VIP KMT2A 3449/4885FABP5 1975/4885FABP7 2841/4885

“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.