SCHEMBL1784562

SCHEMBL1784562

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

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TLR2 O60603 4/20 0.50
KMT2A Q03164 1/20 0.50
CASP3 P42574 1/20 0.50
MDM4 O15151 1/20 0.50
TP53 P04637 1/20 0.50
MDM2 Q00987 2/20 0.48
EPHX2 P34913 1/20 0.47

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
SCHEMBL10138748 1.00 TLR2 (0.50) TLR2KMT2ACASP3MDM4TP53
SCHEMBL13688703 1.00 TLR2 (0.50) TLR2KMT2ACASP3MDM4TP53
SCHEMBL15203241 0.93 TLR2 (0.54) TLR2KMT2ACASP3MDM4TP53
SCHEMBL10026043 0.92 TLR2 (0.58) TLR2MDM2
SCHEMBL29867802 0.90 TLR2 (0.59) TLR2CASP3MDM4TP53MDM2
SCHEMBL120255 0.90 TLR2 (0.59) TLR2CASP3MDM4TP53MDM2
SCHEMBL7532853 0.90 TLR2 (0.59) TLR2CASP3MDM4TP53MDM2
SCHEMBL377523 0.90 MDM4 (0.50) KMT2ACASP3MDM4TP53MDM2
SCHEMBL29398908 0.90 TLR2 (0.59) TLR2CASP3MDM4TP53MDM2
SCHEMBL30564455 0.90 MDM4 (0.50) KMT2ACASP3MDM4TP53MDM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102206247-B Novel peptides as NS3/NS4a serine protease inhibitors of hepatitis C virus DENDREON CORP 2013-03-27 CN disclosed
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
CN-102372764-A Novel peptides as NS3-serine protease inhibitors of hepatitis c virus SCHERING CORP 2012-03-14 CN disclosed
CN-102206247-A Novel peptides as NS3-serine protease inhibitors of hepatitis C virus DENDREON CORP 2011-10-05 CN 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
CN-101792483-A Novel peptides as inhibitors of hepatitis C virus NS 3-serine protease SCHERING CORP 2010-08-04 CN 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
WO-2003062265-A2 NOVEL PEPTIDES AS NS3-SERINE PROTEASE INHIBITORS OF HEPATITIS C VIRUS SCHERING CORPORATION (US) 2003-07-31 WO disclosed
EP-1303487-A1 NOVEL PEPTIDES AS NS3-SERINE PROTEASE INHIBITORS OF HEPATITIS C VIRUS Schering Corporation (US) 2003-04-23 EP disclosed
EP-1301528-A2 PEPTIDES AS NS3-SERINE PROTEASE INHIBITORS OF HEPATITIS C VIRUS SCHERING CORPORATION (US) 2003-04-16 EP 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
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

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 TLR2 2916/4885KMT2A 3141/4885CASP3 389/4885
US-20020160962-A1 Novel peptides as NS3-serine protease inhibitors of hepatitis C virus VIP, HPN, HAVCR2 TLR2 2642/4885KMT2A 3594/4885CASP3 323/4885
US-20110117057-A1 NOVEL PEPTIDES AS NS3-SERINE PROTEASE INHIBITORS OF HEPATITIS C VIRUS HPN, TMPRSS15, VIP TLR2 2661/4885KMT2A 3449/4885CASP3 282/4885
US-20030036501-A1 Novel peptides as NS3-serine protease inhibitors of hepatitis C virus VIP, HPN, TMPRSS15 TLR2 2660/4885KMT2A 3584/4885CASP3 343/4885

“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.