SCHEMBL1784561

SCHEMBL1784561

CCC[C@@H](C(=O)OC)N(C(=O)OC)C1c2ccccc2-c2ccccc21

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.35
TSHR P16473 1/20 0.35
CYP2C19 P33261 1/20 0.35
GPR3 P46089 1/20 0.35
KMT2A Q03164 3/20 0.35
LMNA P02545 1/20 0.34
POLB P06746 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
EPOR P19235 1/20 0.33
SLC22A2 O15244 1/20 0.33
SLC22A3 O75751 1/20 0.33
BCHE P06276 1/20 0.33
ACHE P22303 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
SCHEMBL6372299 1.00 CYP1A2 (0.35) CYP1A2TSHRCYP2C19GPR3KMT2A
SCHEMBL25177898 0.90 CYP1A2 (0.37) CYP1A2TSHRGPR3KMT2APOLB
SCHEMBL1064350 0.89 GAA (0.35) CYP1A2TSHRCYP2C19GPR3KMT2A
SCHEMBL5839363 0.87 GPR3 (0.37) CYP1A2TSHRCYP2C19GPR3KMT2A
SCHEMBL28478005 0.86 CYP1A2 (0.36) CYP1A2TSHRCYP2C19GPR3KMT2A
SCHEMBL8009536 0.85 KCNA5 (0.36) CYP1A2TSHRCYP2C19GPR3KMT2A
SCHEMBL1000114 0.82 BCHE (0.37) CYP1A2TSHRCYP2C19KMT2APOLB
SCHEMBL30510257 0.82 BCHE (0.37) CYP1A2TSHRCYP2C19KMT2APOLB
SCHEMBL8158096 0.82 BCHE (0.37) CYP1A2TSHRCYP2C19KMT2APOLB
SCHEMBL1000116 0.82 BCHE (0.37) CYP1A2TSHRCYP2C19KMT2APOLB

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 24 patents — showing the first 20. 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-7595299-B2 Peptides as NS3-serine protease inhibitors of hepatitis C virus SCHERING CORPORATION (US) 2009-09-29 US 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-7169760-B2 Peptides as NS3-serine protease inhibitors of hepatitis C virus SCHERING CORPORATION (US) 2007-01-30 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
EP-1303487-A1 NOVEL PEPTIDES AS NS3-SERINE PROTEASE INHIBITORS OF HEPATITIS C VIRUS Schering Corporation (US) 2003-04-23 EP disclosed
WO-2002008187-A9 NOVEL PEPTIDES AS NS3-SERINE PROTEASE INHIBITORS OF HEPATITIS C VIRUS SCHERING CORP (US) 2003-01-03 WO disclosed
US-20020160962-A1 Novel peptides as NS3-serine protease inhibitors of hepatitis C virus MERCK SHARP & DOHME LLC 2002-10-31 US disclosed
WO-2002008244-A2 PEPTIDES AS NS3-SERINE PROTEASE INHIBITORS OF HEPATITIS C VIRUS SCHERING CORPORATION (US) 2002-01-31 WO disclosed
WO-2002008187-A1 NOVEL 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-20030216325-A1 Novel peptides as NS3-serine protease inhibitors of hepatitis C virus HPN, TMPRSS15, VIP CYP1A2 3356/4885TSHR 4691/4885CYP2C19 2813/4885
US-20020160962-A1 Novel peptides as NS3-serine protease inhibitors of hepatitis C virus VIP, HPN, HAVCR2 CYP1A2 3647/4885TSHR 4654/4885CYP2C19 2999/4885
US-20070232549-A1 Novel peptides as NS3-serine protease inhibitors of hepatitis C virus HPN, TMPRSS15, VIP CYP1A2 3356/4885TSHR 4691/4885CYP2C19 2813/4885
US-20110117057-A1 NOVEL PEPTIDES AS NS3-SERINE PROTEASE INHIBITORS OF HEPATITIS C VIRUS HPN, TMPRSS15, VIP CYP1A2 3356/4885TSHR 4691/4885CYP2C19 2813/4885
US-20070032433-A1 Novel peptides as NS3-serine protease inhibitors of hepatitis C virus HPN, TMPRSS15, VIP CYP1A2 3356/4885TSHR 4691/4885CYP2C19 2813/4885
US-20040254117-A9 Novel peptides as NS3-serine protease inhibitors of hepatitis C virus HPN, TMPRSS15, VIP CYP1A2 3356/4885TSHR 4691/4885CYP2C19 2813/4885

“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.