SCHEMBL1786015

SCHEMBL1786015

C=CCC1(C)C[C@@H](C(=O)OC(C)(C)C)N(C(=O)OC(C)(C)C)C1

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 1/20 0.35
HSD17B10 Q99714 1/20 0.31
IMPDH2 P12268 3/20 0.31
NR1H2 P55055 2/20 0.30
MAPK1 P28482 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
ABCB1 P08183 1/20 0.30

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
SCHEMBL1799913 0.90 HSD17B10 (0.36) HDAC8HSD17B10NR1H2SMN1; SMN2ABCB1
SCHEMBL10138494 0.90 HSD17B10 (0.36) HDAC8HSD17B10NR1H2SMN1; SMN2ABCB1
SCHEMBL1785816 0.90 HSD17B10 (0.36) HDAC8HSD17B10NR1H2SMN1; SMN2ABCB1
SCHEMBL10138509 0.86 HDAC8 (0.35) HDAC8HSD17B10NR1H2MAPK1SMN1; SMN2
SCHEMBL1780336 0.78 HDAC8 (0.37) HDAC8HSD17B10IMPDH2NR1H2MAPK1
SCHEMBL16342374 0.78 HDAC8 (0.37) HDAC8HSD17B10IMPDH2NR1H2MAPK1
SCHEMBL4870402 0.78 IMPDH2 (0.37) HDAC8HSD17B10IMPDH2NR1H2MAPK1
SCHEMBL5514436 0.78 IMPDH2 (0.37) HDAC8HSD17B10IMPDH2NR1H2MAPK1
SCHEMBL4869919 0.77 HDAC8 (0.35) HDAC8IMPDH2NR1H2MAPK1SMN1; SMN2
SCHEMBL5511725 0.77 HDAC8 (0.35) HDAC8IMPDH2NR1H2MAPK1SMN1; SMN2

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 16 patents. 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-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-20060205672-A1 Novel peptides as NS3-serine protease inhibitors of hepatitis C virus SCHERING CORPORATION (US) 2006-09-14 US disclosed
US-7012066-B2 Peptides as NS3-serine protease inhibitors of hepatitis C virus SCHERING CORPORATION (US) 2006-03-14 US disclosed
US-20040254117-A9 Novel peptides as NS3-serine protease inhibitors of hepatitis C virus DENDREON PHARMACEUTICALS LLC 2004-12-16 US disclosed
EP-1481000-A2 NOVEL PEPTIDES AS NS3-SERINE PROTEASE INHIBITORS OF HEPATITIS C VIRUS SCHERING CORPORATION (US) 2004-12-01 EP disclosed
EP-1385870-A2 PEPTIDES AS NS3-SERINE PROTEASE INHIBITORS OF HEPATITIS C VIRUS Schering Corporation (US) 2004-02-04 EP disclosed
US-20030216325-A1 Novel peptides as NS3-serine protease inhibitors of hepatitis C virus SAKSENA ANIL K 2003-11-20 US disclosed
WO-2003062265-A2 NOVEL PEPTIDES AS NS3-SERINE PROTEASE INHIBITORS OF HEPATITIS C VIRUS SCHERING CORPORATION (US) 2003-07-31 WO disclosed
WO-2002008244-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 (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-20060205672-A1 Novel peptides as NS3-serine protease inhibitors of hepatitis C virus HPN, TMPRSS15, VIP HDAC8 3598/4885HSD17B10 1968/4885IMPDH2 3599/4885
US-20030216325-A1 Novel peptides as NS3-serine protease inhibitors of hepatitis C virus HPN, TMPRSS15, VIP HDAC8 3598/4885HSD17B10 1968/4885IMPDH2 3599/4885
US-20070232549-A1 Novel peptides as NS3-serine protease inhibitors of hepatitis C virus HPN, TMPRSS15, VIP HDAC8 3598/4885HSD17B10 1968/4885IMPDH2 3599/4885
US-20110117057-A1 NOVEL PEPTIDES AS NS3-SERINE PROTEASE INHIBITORS OF HEPATITIS C VIRUS HPN, TMPRSS15, VIP HDAC8 3598/4885HSD17B10 1968/4885IMPDH2 3599/4885
US-20070032433-A1 Novel peptides as NS3-serine protease inhibitors of hepatitis C virus HPN, TMPRSS15, VIP HDAC8 3598/4885HSD17B10 1968/4885IMPDH2 3599/4885
US-20040254117-A9 Novel peptides as NS3-serine protease inhibitors of hepatitis C virus HPN, TMPRSS15, VIP HDAC8 3598/4885HSD17B10 1968/4885IMPDH2 3599/4885

“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.