SCHEMBL1781623

SCHEMBL1781623

CCCC1(C)C[C@@H](C(=O)O)N(C(=O)OC(C)(C)C)C1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.37
HDAC8 Q9BY41 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
SPHK1 Q9NYA1 1/20 0.34
ATM Q13315 2/20 0.32
NR1H2 P55055 2/20 0.31
EPHX2 P34913 1/20 0.31
ALDH1A1 P00352 2/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
CHRM2 P08172 1/20 0.31
CHRM1 P11229 1/20 0.31
CHRM3 P20309 1/20 0.31

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
SCHEMBL1781626 1.00 HSD17B10 (0.37) HSD17B10HDAC8SMN1; SMN2SPHK1ATM
SCHEMBL10138493 1.00 HSD17B10 (0.37) HSD17B10HDAC8SMN1; SMN2SPHK1ATM
SCHEMBL17181248 0.89 HSD17B10 (0.39) HSD17B10HDAC8SMN1; SMN2SPHK1NR1H2
SCHEMBL5984320 0.83 HDAC8 (0.38) HSD17B10HDAC8SMN1; SMN2SPHK1NR1H2
SCHEMBL25845373 0.83 HSD17B10 (0.36) HSD17B10HDAC8SMN1; SMN2SPHK1NR1H2
SCHEMBL13244528 0.83 SMN1; SMN2 (0.42) HSD17B10HDAC8SMN1; SMN2NR1H2KMT2A
SCHEMBL1799913 0.82 HSD17B10 (0.36) HSD17B10HDAC8SMN1; SMN2NR1H2
SCHEMBL1785816 0.82 HSD17B10 (0.36) HSD17B10HDAC8SMN1; SMN2NR1H2
SCHEMBL10138494 0.82 HSD17B10 (0.36) HSD17B10HDAC8SMN1; SMN2NR1H2
SCHEMBL2905429 0.80 HSD17B10 (0.42) HSD17B10HDAC8SMN1; SMN2EPHX2CHRM2

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 17 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
CN-1633446-A Novel peptides as inhibitors of hepatitis C virus NS 3-serine protease SCHERING CORP (US) 2005-06-29 CN 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 HSD17B10 1968/4885HDAC8 3598/4885SMN1; SMN2 3286/4885
US-20030216325-A1 Novel peptides as NS3-serine protease inhibitors of hepatitis C virus HPN, TMPRSS15, VIP HSD17B10 1968/4885HDAC8 3598/4885SMN1; SMN2 3286/4885
US-20070232549-A1 Novel peptides as NS3-serine protease inhibitors of hepatitis C virus HPN, TMPRSS15, VIP HSD17B10 1968/4885HDAC8 3598/4885SMN1; SMN2 3286/4885
US-20110117057-A1 NOVEL PEPTIDES AS NS3-SERINE PROTEASE INHIBITORS OF HEPATITIS C VIRUS HPN, TMPRSS15, VIP HSD17B10 1968/4885HDAC8 3598/4885SMN1; SMN2 3286/4885
US-20070032433-A1 Novel peptides as NS3-serine protease inhibitors of hepatitis C virus HPN, TMPRSS15, VIP HSD17B10 1968/4885HDAC8 3598/4885SMN1; SMN2 3286/4885
US-20040254117-A9 Novel peptides as NS3-serine protease inhibitors of hepatitis C virus HPN, TMPRSS15, VIP HSD17B10 1968/4885HDAC8 3598/4885SMN1; SMN2 3286/4885

“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.