SCHEMBL1782357

SCHEMBL1782357

CN(C)C(=O)CNc1ccccc1C(=O)OCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.52
HPGD P15428 3/20 0.52
HTT P42858 2/20 0.52
NPSR1 Q6W5P4 2/20 0.52
MAPT P10636 2/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
TDP1 Q9NUW8 3/20 0.51
KDM4E B2RXH2 4/20 0.51
LMNA P02545 2/20 0.51
L3MBTL1 Q9Y468 3/20 0.49
TSHR P16473 3/20 0.49
CYP3A4 P08684 1/20 0.49
MAPK1 P28482 1/20 0.49
RAB9A P51151 2/20 0.48
GAA P10253 1/20 0.48
STAT1 P42224 1/20 0.48
SLC6A2 P23975 1/20 0.45
SLC6A3 Q01959 1/20 0.45
KMT2A Q03164 1/20 0.45

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
SCHEMBL29814980 0.86 TSHR (0.57) ALDH1A1HPGDHTTNPSR1TDP1
SCHEMBL1784054 0.85 ALDH1A1 (0.59) ALDH1A1HPGDHTTNPSR1MAPT
SCHEMBL4349614 0.85 ALDH1A1 (0.49) ALDH1A1HPGDHTTNPSR1MAPT
Dimethylamine SCHEMBL1788162 0.84 ALDH1A1 (0.55) ALDH1A1HPGDHTTNPSR1MAPT
SCHEMBL11790901 0.83 ALDH1A1 (0.58) ALDH1A1HPGDHTTNPSR1MAPT
SCHEMBL9439135 0.83 ALDH1A1 (0.55) ALDH1A1HPGDHTTNPSR1MAPT
SCHEMBL8555205 0.83 ALDH1A1 (0.54) ALDH1A1HPGDHTTNPSR1MAPT
SCHEMBL10333082 0.82 ALDH1A1 (0.56) ALDH1A1HPGDHTTNPSR1MAPT
SCHEMBL9299532 0.82 ALDH1A1 (0.56) ALDH1A1HPGDHTTNPSR1MAPT
SCHEMBL8623732 0.81 ALDH1A1 (0.55) ALDH1A1HPGDHTTNPSR1MAPT

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 ALDH1A1 2369/4885HPGD 2426/4885HTT 3193/4885
US-20030216325-A1 Novel peptides as NS3-serine protease inhibitors of hepatitis C virus HPN, TMPRSS15, VIP ALDH1A1 2369/4885HPGD 2426/4885HTT 3193/4885
US-20070232549-A1 Novel peptides as NS3-serine protease inhibitors of hepatitis C virus HPN, TMPRSS15, VIP ALDH1A1 2369/4885HPGD 2426/4885HTT 3193/4885
US-20110117057-A1 NOVEL PEPTIDES AS NS3-SERINE PROTEASE INHIBITORS OF HEPATITIS C VIRUS HPN, TMPRSS15, VIP ALDH1A1 2369/4885HPGD 2426/4885HTT 3193/4885
US-20070032433-A1 Novel peptides as NS3-serine protease inhibitors of hepatitis C virus HPN, TMPRSS15, VIP ALDH1A1 2369/4885HPGD 2426/4885HTT 3193/4885
US-20040254117-A9 Novel peptides as NS3-serine protease inhibitors of hepatitis C virus HPN, TMPRSS15, VIP ALDH1A1 2369/4885HPGD 2426/4885HTT 3193/4885

“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.