Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL1244063

CN(C)CCNC1COc2ccccc2-c2c(C3CCCCC3)c3ccc(C(=O)O)cc3n2C1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F

nearest known ligand 0.73

Full drug profile on Sugi Atlas →

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 1/20 0.73
MMP12 P39900 1/20 0.73
NR1I2 O75469 7/20 0.38
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
KCNH2 Q12809 1/20 0.33
SCN9A Q15858 1/20 0.33
CSNK2A1 P68400 1/20 0.32

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
SCHEMBL3092955 0.92 PRKCA (0.76) PRKCAMMP12NR1I2CYP3A4CYP2C9
Mk-3281 SCHEMBL3092945 0.89 PRKCA (0.92) PRKCAMMP12NR1I2CYP3A4CYP2C9
Mk-3281 SCHEMBL3085872 0.89 PRKCA (0.92) PRKCAMMP12NR1I2CYP3A4CYP2C9
Mk-3281 SCHEMBL3086966 0.89 PRKCA (0.92) PRKCAMMP12NR1I2CYP3A4CYP2C9
SCHEMBL3092202 0.89 PRKCA (0.67) PRKCAMMP12NR1I2CYP3A4CYP2C9
SCHEMBL3088796 0.88 PRKCA (0.64) PRKCAMMP12NR1I2CYP3A4CYP2C9
Trifluoroacetic Acid SCHEMBL3093777 0.88 PRKCA (0.72) PRKCAMMP12NR1I2CYP3A4CYP2C9
Trifluoroacetic Acid SCHEMBL3092631 0.88 PRKCA (0.72) PRKCAMMP12NR1I2CYP3A4CYP2C9
SCHEMBL3089838 0.87 PRKCA (0.63) PRKCAMMP12NR1I2CYP3A4KCNH2
SCHEMBL3086590 0.87 PRKCA (0.64) 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 59 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7795247-B2 Tetracyclic indole derivatives as antiviral agents ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2010-09-14 US claimed
US-20220356182-A1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION MERCK SHARP & DOHME CORP. (US) 2022-11-10 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
US-9493461-B2 Tetracyclic heterocycle compounds and methods of use thereof for the treatment of hepatitis C MERCK SHARP & DOHME CORP. (US) 2016-11-15 US disclosed
US-20100093779-A1 HCV NS3 PROTEASE INHIBITORS MERCK SHARP & DOHME LLC 2010-04-15 US disclosed
EP-1924593-B9 HCV NS3 PROTEASE INHIBITORS MERCK & CO INC (US) 2010-02-17 EP disclosed
US-20100035835-A1 NUCLEOSIDE ARYL PHOSPHORAMIDATES FOR THE TREATMENT OF RNA-DEPENDENT RNA VIRAL INFECTION MERCK SHARP & DOHME LLC 2010-02-11 US disclosed
US-20100029666-A1 Macrocyclic Quinoxaline Compounds as HCV NS3 Protease Inhibitors MERCK SHARP & DOHME LLC 2010-02-04 US disclosed
US-7632821-B2 Ribonucleoside cyclic acetal derivatives for the treatment of RNA-dependent RNA viral infection MERCK & CO., INC. (US) 2009-12-15 US disclosed
EP-1924593-B1 HCV NS3 PROTEASE INHIBITORS MERCK & CO INC (US) 2009-09-16 EP disclosed
US-20090124661-A1 HCV NS3 PROTEASE INHIBITORS MERCK & CO., INC. (US) 2009-05-14 US disclosed
US-20090118223-A1 Novel 2'-c-methyl and 4'c-methyl nucleoside derivatives MERCK SHARP & DOHME CORP. 2009-05-07 US disclosed
US-20090099126-A1 Ribonucleoside Cyclic Acetal Derivatives for the Treatment of RNA-Dependent RNA Viral Infection MERCK SHARP & DOHME CORP. 2009-04-16 US disclosed
US-20060100262-A1 Tetracyclic indole derivatives as antiviral agents ISTITUTO DI RICHERCHEDI BIOLOGIA MOLECOLARE P ANGELETTI SPA (IRMB) (IT) 2006-05-11 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 (9 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-20090124661-A1 HCV NS3 PROTEASE INHIBITORS HAVCR2, GTF3C3, CTSC PRKCA 2980/4885MMP12 773/4885NR1I2 613/4885
US-20060100262-A1 Tetracyclic indole derivatives as antiviral agents IDO1, ZC3HAV1, IDO2 PRKCA 3874/4885MMP12 3319/4885NR1I2 144/4885
US-20090099126-A1 Ribonucleoside Cyclic Acetal Derivatives for the Treatment of RNA-Dependent RNA Viral Infection RNASE1, RNASEL, NSUN2 PRKCA 2558/4885MMP12 2776/4885NR1I2 755/4885
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-20100093779-A1 HCV NS3 PROTEASE INHIBITORS HAVCR2, GTF3C3, CTSC PRKCA 2980/4885MMP12 773/4885NR1I2 613/4885
US-20090118223-A1 Novel 2'-c-methyl and 4'c-methyl nucleoside derivatives MTAP, NT5C3B, NSUN2 PRKCA 559/4885MMP12 3480/4885NR1I2 1191/4885
US-20100035835-A1 NUCLEOSIDE ARYL PHOSPHORAMIDATES FOR THE TREATMENT OF RNA-DEPENDENT RNA VIRAL INFECTION NSUN2, NSUN3, RNGTT PRKCA 3283/4885MMP12 3965/4885NR1I2 1112/4885
US-20100029666-A1 Macrocyclic Quinoxaline Compounds as HCV NS3 Protease Inhibitors KEAP1, CTSC, SPINT2 PRKCA 3996/4885MMP12 1075/4885NR1I2 652/4885

“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.