SCHEMBL894723

SCHEMBL894723

COc1ccc2c(c1)CN(CCN(C)C)C(=O)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)O)cc21

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 1/20 0.48
MMP12 P39900 1/20 0.48
KCNH2 Q12809 7/20 0.43
NR1I2 O75469 6/20 0.43
CYP3A4 P08684 3/20 0.43
SCN5A Q14524 2/20 0.43
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
SCN9A Q15858 1/20 0.36

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
SCHEMBL3093091 0.93 KCNH2 (0.44) PRKCAMMP12KCNH2NR1I2CYP3A4
SCHEMBL4144670 0.90 PRKCA (0.38) PRKCAMMP12KCNH2NR1I2CYP3A4
SCHEMBL4144672 0.90 PRKCA (0.38) PRKCAMMP12KCNH2NR1I2CYP3A4
SCHEMBL894895 0.89 PRKCA (0.49) PRKCAMMP12KCNH2NR1I2CYP3A4
SCHEMBL895175 0.88 PRKCA (0.57) PRKCAMMP12NR1I2CYP3A4CYP2C9
SCHEMBL895643 0.87 PRKCA (0.56) PRKCAMMP12NR1I2CYP3A4CYP2C9
SCHEMBL895935 0.87 KCNH2 (0.45) PRKCAMMP12KCNH2NR1I2CYP3A4
SCHEMBL895975 0.87 PRKCA (0.49) PRKCAMMP12KCNH2NR1I2CYP3A4
SCHEMBL3092990 0.84 PRKCA (0.41) PRKCAMMP12KCNH2NR1I2CYP3A4
SCHEMBL895284 0.83 PRKCA (0.56) PRKCAMMP12NR1I2CYP3A4CYP2C9

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 112 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220356182-A1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION MERCK SHARP & DOHME CORP. (US) 2022-11-10 US disclosed
US-11053243-B2 Inhibitors of hepatitis C virus replication MERCK SHARP & DOHME CORP. (US) 2021-07-06 US disclosed
US-20200262836-A1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION MERCK SHARP & DOHME CORP. (US) 2020-08-20 US disclosed
EP-2953461-B1 TETRACYCLIC HETEROCYCLE COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF HEPATITIS C MERCK SHARP & DOHME (US) 2020-04-22 EP disclosed
EP-2953462-B1 TETRACYCLIC HETEROCYCLE COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF HEPATITIS C MERCK SHARP & DOHME (US) 2020-04-08 EP disclosed
EP-2780026-B1 HCV NS3 PROTEASE INHIBITORS MERCK SHARP & DOHME (US) 2019-10-23 EP disclosed
EP-2953456-B1 TETRACYCLIC HETEROCYCLE COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF HEPATITIS C MERCK SHARP & DOHME (US) 2019-05-22 EP disclosed
US-20190127365-A1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION MERCK SHARP & DOHME CORP. (US) 2019-05-02 US disclosed
EP-2086982-B1 HCV NS3 PROTEASE INHIBITORS MERCK SHARP & DOHME (US) 2018-08-29 EP disclosed
US-9738661-B2 HCV NS3 protease inhibitors MERCK SHARP & DOHME CORP. (US) 2017-08-22 US disclosed
EP-1913016-A1 MACROCYCLIC PEPTIDES AS HCV NS3 PROTEASE INHIBITORS Merck & Co., Inc. (US) 2008-04-23 EP disclosed
EP-1910404-A1 HCV NS3 PROTEASE INHIBITORS Merck & Co., Inc. (US) 2008-04-16 EP disclosed
EP-1879607-A2 HCV NS3 PROTEASE INHIBITORS Merck & Co., Inc. (US) 2008-01-23 EP disclosed
WO-2007095269-A2 NUCLEOSIDE ARYL PHOSPHORAMIDATES FOR THE TREATMENT OF RNA-DEPENDENT RNA VIRAL INFECTION MERCK & CO., INC. (US) 2007-08-23 WO disclosed
WO-2007022073-A2 NOVEL 2'-C-METHYL AND 4'-C-METHYL NUCLEOSIDE DERIVATIVES MERCK & CO., INC. (US) 2007-02-22 WO disclosed
WO-2007015787-A1 HCV NS3 PROTEASE INHIBITORS MERCK & CO., INC. (US) 2007-02-08 WO disclosed
WO-2007015855-A1 HCV NS3 PROTEASE INHIBITORS MERCK & CO., INC. (US) 2007-02-08 WO disclosed
WO-2007016441-A1 MACROCYCLIC PEPTIDES AS HCV NS3 PROTEASE INHIBITORS MERCK & CO., INC. (US) 2007-02-08 WO disclosed
US-20070027071-A1 HCV NS3 protease inhibitors MERCK SHARP & DOHME LLC 2007-02-01 US disclosed
WO-2006119061-A2 HCV NS3 PROTEASE INHIBITORS MERCK & CO., INC. (US) 2006-11-09 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 (5 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-20070027071-A1 HCV NS3 protease inhibitors HAVCR2, GTF3C3, CTSC PRKCA 2980/4885MMP12 773/4885KCNH2 4405/4885
US-20200262836-A1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION HAVCR2, HCCS, EIF2AK2 PRKCA 1517/4885MMP12 3182/4885KCNH2 4621/4885
US-11053243-B2 Inhibitors of hepatitis C virus replication HAVCR2, HCCS, EIF2AK2 PRKCA 1517/4885MMP12 3182/4885KCNH2 4621/4885
US-20190127365-A1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION HAVCR2, HCCS, EIF2AK2 PRKCA 1517/4885MMP12 3182/4885KCNH2 4621/4885
US-20220356182-A1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION HAVCR2, HCCS, EIF2AK2 PRKCA 1517/4885MMP12 3182/4885KCNH2 4621/4885

“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.