SCHEMBL10138748

SCHEMBL10138748

CCCC(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
SCHEMBL13688703 1.00 TLR2 (0.50) TLR2KMT2ACASP3MDM4TP53
SCHEMBL1784562 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 12 patents. 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
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
CN-101792483-A Novel peptides as inhibitors of hepatitis C virus NS 3-serine protease SCHERING CORP 2010-08-04 CN disclosed
US-7244721-B2 Peptides as NS3-serine protease inhibitors of hepatitis C virus SCHERING CORPORATION (US) 2007-07-17 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
CN-1498224-A Novel peptides as inhibitors of hepatitis C virus NS 3-serine protease ���鹫˾ 2004-05-19 CN disclosed
CN-1446201-A Novel peptides as NS3-serine protease inhibitors of hepatitis C virus SCHERING CORP (US) 2003-10-01 CN 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-20110117057-A1 NOVEL PEPTIDES AS NS3-SERINE PROTEASE INHIBITORS OF HEPATITIS C VIRUS HPN, TMPRSS15, VIP TLR2 2661/4885KMT2A 3449/4885CASP3 282/4885
US-20070032433-A1 Novel peptides as NS3-serine protease inhibitors of hepatitis C virus HPN, TMPRSS15, VIP TLR2 2661/4885KMT2A 3449/4885CASP3 282/4885

“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.