Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL5100346

CC(N)c1nc2cc(C#N)ccc2[nH]1.O=C(O)C(F)(F)F

nearest known ligand 0.45

Full drug profile on Sugi Atlas →

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SCN10A Q9Y5Y9 4/20 0.45
S1PR4 O95977 5/20 0.42
S1PR1 P21453 5/20 0.42
PIN1 Q13526 1/20 0.41
PRCP P42785 1/20 0.41
S1PR5 Q9H228 4/20 0.41
PPARA Q07869 1/20 0.41
PARP1 P09874 1/20 0.40
CFB P00751 2/20 0.39
MAPK10 P53779 4/20 0.39
PDE9A O76083 1/20 0.37

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
Trifluoroacetic Acid SCHEMBL4144867 0.82 S1PR4 (0.44) SCN10AS1PR4S1PR1PRCPS1PR5
SCHEMBL15311025 0.78 SCN10A (0.62) SCN10ACFB
SCHEMBL15311080 0.78 SCN10A (0.62) SCN10ACFB
SCHEMBL13119215 0.77 KDM4E (0.53) SCN10APIN1CFBMAPK10
SCHEMBL30322971 0.74 AAK1 (0.44) SCN10APRCPCFB
Trifluoroacetic Acid SCHEMBL14638489 0.74 PIN1 (0.42) PIN1PPARAMAPK10
SCHEMBL29224679 0.73 SCN10A (0.46) SCN10APRCPCFB
SCHEMBL2873806 0.72 SCN10A (0.42) SCN10APIN1PRCPCFBMAPK10
SCHEMBL5110120 0.72 SCN10A (0.59) SCN10A
Bromide SCHEMBL31276057 0.71 SCN10A (0.58) SCN10A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080132496-A1 CARBOXYLIC ACID AMIDES, THE PREPARATION THEREOF, AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2008-06-05 US disclosed
US-7326791-B2 Carboxylic acid amides, the preparation thereof, and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO., KG (DE) 2008-02-05 US disclosed
EP-1575925-A1 NOVEL CARBOXAMIDES, THE PRODUCTION AND USE THEREOF AS MEDICAMENTS Boehringer Ingelheim International GmbH (DE) 2005-09-21 EP disclosed
US-20040220169-A1 Carboxylic acid amides, the preparation thereof, and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-11-04 US disclosed
WO-2004056784-A1 NOVEL CARBOXAMIDES, THE PRODUCTION AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-07-08 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 (2 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-20080132496-A1 CARBOXYLIC ACID AMIDES, THE PREPARATION THEREOF, AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS F12, F11, F2 SCN10A 1465/4885S1PR4 4677/4885S1PR1 4316/4885
US-20040220169-A1 Carboxylic acid amides, the preparation thereof, and their use as pharmaceutical compositions F12, F11, F2 SCN10A 1505/4885S1PR4 4520/4885S1PR1 3706/4885

“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.