SCHEMBL1781452

SCHEMBL1781452

CC(C)(C)OC(=O)N1CC(OS(C)(=O)=O)C[C@H]1C(=O)OCc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 7/20 0.45
ABCB1 P08183 1/20 0.44
KLK7 P49862 1/20 0.43
FKBP1A P62942 3/20 0.42
NR1H2 P55055 2/20 0.42
NR1H3 Q13133 2/20 0.42
GPR119 Q8TDV5 2/20 0.41
UCHL1 P09936 1/20 0.40
POLB P06746 1/20 0.39

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
SCHEMBL1781450 1.00 MCL1 (0.45) MCL1ABCB1KLK7FKBP1ANR1H2
SCHEMBL4923969 1.00 MCL1 (0.45) MCL1ABCB1KLK7FKBP1ANR1H2
SCHEMBL7149261 0.92 POLB (0.43) MCL1ABCB1KLK7POLB
SCHEMBL21066263 0.91 KLK7 (0.47) MCL1ABCB1KLK7FKBP1ANR1H2
SCHEMBL22322657 0.90 KLK7 (0.48) KLK7FKBP1ANR1H2NR1H3
SCHEMBL29550939 0.90 KLK7 (0.48) KLK7FKBP1ANR1H2NR1H3
SCHEMBL1448111 0.87 ABCB1 (0.54) MCL1ABCB1KLK7FKBP1AUCHL1
SCHEMBL21273903 0.87 ABCB1 (0.54) MCL1ABCB1KLK7FKBP1AUCHL1
SCHEMBL7703700 0.87 ABCB1 (0.54) MCL1ABCB1KLK7FKBP1AUCHL1
SCHEMBL7279798 0.87 ABCB1 (0.54) MCL1ABCB1KLK7FKBP1AUCHL1

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 19 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-20050059606-A1 Novel peptides as NS3-serine protease inhibitors of hepatitis C virus DENDREON CORPORATION (US) 2005-03-17 US disclosed
EP-1481000-A2 NOVEL PEPTIDES AS NS3-SERINE PROTEASE INHIBITORS OF HEPATITIS C VIRUS SCHERING CORPORATION (US) 2004-12-01 EP disclosed
US-6800434-B2 Peptides as NS3-serine protease inhibitors of hepatitis C virus SCHERING CORPORATION 2004-10-05 US disclosed
EP-1385870-A2 PEPTIDES AS NS3-SERINE PROTEASE INHIBITORS OF HEPATITIS C VIRUS Schering Corporation (US) 2004-02-04 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-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-2002008244-A2 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 (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 MCL1 2390/4885ABCB1 1580/4885KLK7 926/4885
US-20070232549-A1 Novel peptides as NS3-serine protease inhibitors of hepatitis C virus HPN, TMPRSS15, VIP MCL1 2390/4885ABCB1 1580/4885KLK7 926/4885
US-20110117057-A1 NOVEL PEPTIDES AS NS3-SERINE PROTEASE INHIBITORS OF HEPATITIS C VIRUS HPN, TMPRSS15, VIP MCL1 2390/4885ABCB1 1580/4885KLK7 926/4885
US-20050059606-A1 Novel peptides as NS3-serine protease inhibitors of hepatitis C virus VIP, HPN, TMPRSS15 MCL1 2429/4885ABCB1 1848/4885KLK7 867/4885
US-20030036501-A1 Novel peptides as NS3-serine protease inhibitors of hepatitis C virus VIP, HPN, TMPRSS15 MCL1 2429/4885ABCB1 1848/4885KLK7 867/4885
US-20070032433-A1 Novel peptides as NS3-serine protease inhibitors of hepatitis C virus HPN, TMPRSS15, VIP MCL1 2390/4885ABCB1 1580/4885KLK7 926/4885

“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.