SCHEMBL1782809

SCHEMBL1782809

CC1C[C@@H](C(=O)O)N(C(=O)OC(C)(C)C)C1=O

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.37
CHRM1 P11229 1/20 0.37
CHRM3 P20309 1/20 0.37
HSD17B10 Q99714 1/20 0.35
NR1H2 P55055 1/20 0.35
TPSAB1 Q15661 1/20 0.34
TPSD1 Q9BZJ3 1/20 0.34
TPSG1 Q9NRR2 1/20 0.34
GPR119 Q8TDV5 1/20 0.33
KLK7 P49862 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPT P10636 1/20 0.33
THRB P10828 1/20 0.33
USP2 O75604 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
Ethane SCHEMBL25434708 1.00 CHRM2 (0.37) CHRM2CHRM1CHRM3HSD17B10NR1H2
SCHEMBL13293175 1.00 CHRM2 (0.37) CHRM2CHRM1CHRM3HSD17B10NR1H2
SCHEMBL13263378 1.00 CHRM2 (0.37) CHRM2CHRM1CHRM3HSD17B10NR1H2
SCHEMBL7067155 1.00 CHRM2 (0.37) CHRM2CHRM1CHRM3HSD17B10NR1H2
SCHEMBL7067153 1.00 CHRM2 (0.37) CHRM2CHRM1CHRM3HSD17B10NR1H2
SCHEMBL12193300 0.88 CHRM2 (0.37) CHRM2CHRM1CHRM3NR1H2GPR119
SCHEMBL8354068 0.88 MAPK1 (0.38) CHRM2CHRM1CHRM3NR1H2KDM4E
SCHEMBL1785924 0.88 MAPK1 (0.38) CHRM2CHRM1CHRM3NR1H2KDM4E
SCHEMBL12295967 0.88 CHRM2 (0.37) CHRM2CHRM1CHRM3NR1H2GPR119
SCHEMBL2605610 0.85 PTPN1 (0.37) CHRM2CHRM1CHRM3NR1H2

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
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
US-20030216325-A1 Novel peptides as NS3-serine protease inhibitors of hepatitis C virus SAKSENA ANIL K 2003-11-20 US 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 CHRM2 4878/4885CHRM1 4864/4885CHRM3 4604/4885
US-20030216325-A1 Novel peptides as NS3-serine protease inhibitors of hepatitis C virus HPN, TMPRSS15, VIP CHRM2 4878/4885CHRM1 4864/4885CHRM3 4604/4885
US-20070232549-A1 Novel peptides as NS3-serine protease inhibitors of hepatitis C virus HPN, TMPRSS15, VIP CHRM2 4878/4885CHRM1 4864/4885CHRM3 4604/4885
US-20110117057-A1 NOVEL PEPTIDES AS NS3-SERINE PROTEASE INHIBITORS OF HEPATITIS C VIRUS HPN, TMPRSS15, VIP CHRM2 4878/4885CHRM1 4864/4885CHRM3 4604/4885
US-20070032433-A1 Novel peptides as NS3-serine protease inhibitors of hepatitis C virus HPN, TMPRSS15, VIP CHRM2 4878/4885CHRM1 4864/4885CHRM3 4604/4885
US-20040254117-A9 Novel peptides as NS3-serine protease inhibitors of hepatitis C virus HPN, TMPRSS15, VIP CHRM2 4878/4885CHRM1 4864/4885CHRM3 4604/4885

“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.