SCHEMBL896011

SCHEMBL896011

CN1Cc2ccccc2-c2c(C3CCCCC3)c3ccc(C(=O)O)cc3n2CC1=O

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 1/20 0.51
MMP12 P39900 1/20 0.51
NR1I2 O75469 2/20 0.42
SCN9A Q15858 4/20 0.40
CYP3A4 P08684 2/20 0.36
CYP2C19 P33261 2/20 0.36
KMO O15229 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
HDAC1 Q13547 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
CCKBR P32239 1/20 0.35

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
SCHEMBL30065382 1.00 PRKCA (0.51) PRKCAMMP12NR1I2SCN9ACYP3A4
SCHEMBL772286 0.90 PRKCA (0.54) PRKCAMMP12NR1I2SCN9ACYP3A4
SCHEMBL895645 0.87 PRKCA (0.47) PRKCAMMP12NR1I2SCN9A
SCHEMBL4822218 0.86 PRKCA (0.47) PRKCAMMP12NR1I2SCN9ACYP3A4
SCHEMBL895935 0.86 KCNH2 (0.45) PRKCAMMP12NR1I2SCN9ACYP3A4
SCHEMBL895175 0.86 PRKCA (0.57) PRKCAMMP12NR1I2SCN9ACYP3A4
SCHEMBL4822919 0.85 PRKCA (0.51) PRKCAMMP12NR1I2SCN9ACYP3A4
SCHEMBL3085838 0.85 PRKCA (0.51) PRKCAMMP12NR1I2SCN9ACYP3A4
SCHEMBL4826803 0.85 PRKCA (0.51) PRKCAMMP12NR1I2SCN9ACYP3A4
SCHEMBL895643 0.85 PRKCA (0.56) PRKCAMMP12NR1I2SCN9ACYP3A4

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 84 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
US-9738661-B2 HCV NS3 protease inhibitors MERCK SHARP & DOHME CORP. (US) 2017-08-22 US disclosed
US-20170008906-A1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION MERCK SHARP & DOHME CORP. (US) 2017-01-12 US disclosed
US-20100022468-A1 NUCLEOSIDE CYCLIC PHOSPHORAMIDATES FOR THE TREATMENT OF RNA-DEPENDENT RNA VIRAL INFECTION MERCK SHARP & DOHME LLC 2010-01-28 US disclosed
EP-1924593-B1 HCV NS3 PROTEASE INHIBITORS MERCK & CO INC (US) 2009-09-16 EP disclosed
EP-2083844-A2 HCV NS3 PROTEASE INHIBITORS Merck & Co., Inc. (US) 2009-08-05 EP disclosed
US-20090118223-A1 Novel 2'-c-methyl and 4'c-methyl nucleoside derivatives MERCK SHARP & DOHME CORP. 2009-05-07 US disclosed
US-20090075869-A1 HCV NS3 protease inhibitors MERCK SHARP & DOHME LLC 2009-03-19 US disclosed
US-7470664-B2 HCV NS3 protease inhibitors MERCK & CO., INC. (US) 2008-12-30 US disclosed
WO-2008127613-A1 NEW PHARMACEUTICAL COMPOSITIONS SCYNEXIS, INC. (US) 2008-10-23 WO disclosed
US-20080255038-A1 3-[(R)-2-(N,N-dimethylamino)ethylthio-Sar]-4-(gamma-hydroxymethylleucine)cyclosporin, for example, and pharmaceutical compositions prepared from the same, in combination with one or more NS5B polymerase inhibitors; use in treatment of hepatitis C virus; avoids need to use interferon or ribavirin SCYNEXIS, INC. 2008-10-16 US disclosed
WO-2008057208-A2 HCV NS3 PROTEASE INHIBITORS MERCK & CO., INC. (US) 2008-05-15 WO disclosed
US-20070027071-A1 HCV NS3 protease inhibitors MERCK SHARP & DOHME LLC 2007-02-01 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 (10 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 773/4885NR1I2 613/4885
US-20200262836-A1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION HAVCR2, HCCS, EIF2AK2 PRKCA 1517/4885MMP12 3182/4885NR1I2 643/4885
US-20080255038-A1 3-[(R)-2-(N,N-dimethylamino)ethylthio-Sar]-4-(gamma-hydroxymethylleucine)cyclosporin, for example, and pharmaceutical compositions prepared from the same, in combination with one or more NS5B polymerase inhibitors; use in treatment of hepatitis C virus; avoids need to use interferon or ribavirin NSUN2, TPMT, EIF5B PRKCA 3523/4885MMP12 4707/4885NR1I2 242/4885
US-20170008906-A1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION HAVCR2, HCCS, EIF2AK2 PRKCA 1517/4885MMP12 3182/4885NR1I2 643/4885
US-20090075869-A1 HCV NS3 protease inhibitors HAVCR2, GTF3C3, CTSC PRKCA 2980/4885MMP12 773/4885NR1I2 613/4885
US-11053243-B2 Inhibitors of hepatitis C virus replication HAVCR2, HCCS, EIF2AK2 PRKCA 1517/4885MMP12 3182/4885NR1I2 643/4885
US-20190127365-A1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION HAVCR2, HCCS, EIF2AK2 PRKCA 1517/4885MMP12 3182/4885NR1I2 643/4885
US-20220356182-A1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION HAVCR2, HCCS, EIF2AK2 PRKCA 1517/4885MMP12 3182/4885NR1I2 643/4885
US-20090118223-A1 Novel 2'-c-methyl and 4'c-methyl nucleoside derivatives MTAP, NT5C3B, NSUN2 PRKCA 559/4885MMP12 3480/4885NR1I2 1191/4885
US-20100022468-A1 NUCLEOSIDE CYCLIC PHOSPHORAMIDATES FOR THE TREATMENT OF RNA-DEPENDENT RNA VIRAL INFECTION RNGTT, NSUN2, RNASE1 PRKCA 1836/4885MMP12 3665/4885NR1I2 1833/4885

“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.