Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL2333478

Fc1ccc2cnccc2c1Cl.O=C(O)C(F)(F)F

nearest known ligand 0.50

Full drug profile on Sugi Atlas →

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 3/20 0.50
ERN1 O75460 1/20 0.38
TRPV1 Q8NER1 9/20 0.38
SLC22A12 Q96S37 2/20 0.37
CSNK2A2 P19784 1/20 0.36
CSNK2B P67870 1/20 0.36
CSNK2A1 P68400 1/20 0.36
GPR6 P46095 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MAPKAPK2 P49137 1/20 0.36
L3MBTL1 Q9Y468 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
SCHEMBL31552249 0.86 IMPDH2 (0.61) IMPDH2ERN1KDM4EMAPKAPK2L3MBTL1
SCHEMBL1705034 0.86 IMPDH2 (0.61) IMPDH2ERN1KDM4EMAPKAPK2L3MBTL1
Trifluoroacetic Acid SCHEMBL30343227 0.73 L3MBTL1 (0.42) IMPDH2SLC22A12KDM4EL3MBTL1
SCHEMBL3711409 0.70 KDM4E (0.41) IMPDH2ERN1TRPV1KDM4EMAPKAPK2
Trifluoroacetic Acid SCHEMBL1655915 0.70 CSNK2A1 (0.38) IMPDH2ERN1TRPV1SLC22A12CSNK2A2
Isoquinoline SCHEMBL4339110 0.69 IMPDH2 (0.46) IMPDH2TRPV1SLC22A12L3MBTL1
Isoquinoline SCHEMBL27990251 0.69 IMPDH2 (0.46) IMPDH2TRPV1SLC22A12L3MBTL1
Isoquinoline SCHEMBL4339108 0.69 IMPDH2 (0.46) IMPDH2TRPV1SLC22A12L3MBTL1
Trifluoroacetic Acid SCHEMBL1655913 0.69 CDK2 (0.36) IMPDH2ERN1TRPV1SLC22A12CSNK2A2
SCHEMBL1706043 0.69 IMPDH2 (0.61) IMPDH2ERN1KDM4EMAPKAPK2

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8796458-B2 Cyclohexylamine isoquinolone derivatives SANOFI (FR) 2014-08-05 US disclosed
US-8722671-B2 Isoquinoline derivatives SANOFI (FR) 2014-05-13 US disclosed
US-8609691-B2 Cyclohexylamin isoquinolone derivatives SANOFI (FR) 2013-12-17 US disclosed
US-8501736-B2 Isoquinoline derivatives SANOFI (FR) 2013-08-06 US disclosed
US-20110251226-A1 CYCLOHEXYLAMIN ISOQUINOLONE DERIVATIVES SANOFI-AVENTIS (FR) 2011-10-13 US disclosed
US-20110245248-A1 ISOQUINOLINE DERIVATIVES SANOFI-AVENTIS (FR) 2011-10-06 US disclosed
EP-1912949-B1 CYCLOHEXYLAMIN ISOQUINOLONE DERIVATIVES AS RHO-KINASE INHIBITORS SANOFI SA (FR) 2011-08-24 EP disclosed
EP-1899322-B1 ISOQUINOLINE DERIVATIVES AS INHIBITORS OF RHO-KINASE SANOFI AVENTIS (FR) 2009-09-02 EP disclosed
US-20090088429-A1 Isoquinoline Derivatives SANOFI-AVENTIS (FR) 2009-04-02 US disclosed
US-20080242699-A1 Rho-kinase and/or Rho-kinase mediated phosphorylation of myosin light chain phosphatase inhibitors; Hypotensive agents; 6-(4-Amino-cyclohexyloxy)-2-(4-methoxy-benzyl)-7-propyl-2H-isoquinolin-1-one SANOFI-AVENTIS (FR) 2008-10-02 US disclosed
EP-1912949-A1 CYCLOHEXYLAMIN ISOQUINOLONE DERIVATIVES AS RHO-KINASE INHIBITORS Sanofi-Aventis (FR) 2008-04-23 EP disclosed
WO-2007012422-A1 CYCLOHEXYLAMIN ISOQUINOLONE DERIVATIVES AS RHO-KINASE INHIBITORS SANOFI-AVENTIS (DE) 2007-02-01 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 (4 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-20080242699-A1 Rho-kinase and/or Rho-kinase mediated phosphorylation of myosin light chain phosphatase inhibitors; Hypotensive agents; 6-(4-Amino-cyclohexyloxy)-2-(4-methoxy-benzyl)-7-propyl-2H-isoquinolin-1-one MYLK, MYLK2, ROCK1 IMPDH2 1221/4885ERN1 1897/4885TRPV1 3209/4885
US-20110245248-A1 ISOQUINOLINE DERIVATIVES MYLK2, MYLK, RHOT2 IMPDH2 897/4885ERN1 2404/4885TRPV1 4354/4885
US-20110251226-A1 CYCLOHEXYLAMIN ISOQUINOLONE DERIVATIVES MYLK2, MYLK, MYLK3 IMPDH2 386/4885ERN1 2539/4885TRPV1 4598/4885
US-20090088429-A1 Isoquinoline Derivatives MYLK2, MYLK, RHOT2 IMPDH2 897/4885ERN1 2404/4885TRPV1 4354/4885

“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.