Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3085405

O=C(O)C(F)(F)F.O=C1c2ccccc2CN1C1CCNCC1

nearest known ligand 0.52

Full drug profile on Sugi Atlas →

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 2/20 0.52
MTR Q99707 1/20 0.47
SCN1A P35498 11/20 0.45
SCN5A Q14524 11/20 0.45
SCN9A Q15858 11/20 0.45
CRBN Q96SW2 1/20 0.44
HTR2C P28335 3/20 0.43
HTR2B P41595 2/20 0.43
HTR2A P28223 2/20 0.43
KDM5A P29375 1/20 0.43
ITGB3 P05106 1/20 0.40
ITGA2B P08514 1/20 0.40
ITGA2 P17301 1/20 0.40

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
SCHEMBL1976916 0.88 PARP1 (0.56) PARP1MTRSCN1ASCN5ASCN9A
Trifluoroacetic Acid SCHEMBL4782071 0.81 CALCRL (0.48) PARP1
Trifluoroacetic Acid SCHEMBL3089861 0.81 HTR2A (0.50) PARP1SCN1ASCN5ASCN9AHTR2C
SCHEMBL18216849 0.78 MTR (0.59) MTRSCN1ASCN5ASCN9ACRBN
SCHEMBL29961279 0.78 MTR (0.59) MTRSCN1ASCN5ASCN9ACRBN
Trifluoroacetic Acid SCHEMBL4781145 0.75 CALCRL (0.46) HTR2CHTR2B
SCHEMBL2183088 0.75 MTR (0.60) PARP1MTRSCN1ASCN5ASCN9A
SCHEMBL31252793 0.75 MTR (0.60) PARP1MTRSCN1ASCN5ASCN9A
SCHEMBL27791700 0.74 PARP1 (0.45) PARP1MTRSCN1ASCN5ASCN9A
SCHEMBL30015409 0.74 HTR2C (0.61) PARP1CRBNHTR2CHTR2BHTR2A

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-7799806-B2 Substituted n-benzyl piperidines as somatostatin receptor modulators HOFFMANN-LA ROCHE INC. (US) 2010-09-21 US disclosed
EP-2142528-B1 1-(1-BENZYLPIPERIDIN-4-YL)BENZIMIDAZ0LE -5-CARBOXYLIC ACID DERIVATIVES FOR THE TREATMENT OF DIABETES MELLITUS HOFFMANN LA ROCHE (CH) 2010-07-07 EP disclosed
EP-2142528-A1 1-(1-BENZYLPIPERIDIN-4-YL)BENZIMIDAZ0LE -5-CARBOXYLIC ACID DERIVATIVES FOR THE TREATMENT OF DIABETES MELLITUS F. Hoffmann-Roche AG (CH) 2010-01-13 EP disclosed
WO-2008122510-A1 1-(1-BENZYLPIPERIDIN-4-YL)BENZIMIDAZ0LE -5-CARBOXYLIC ACID DERIVATIVES FOR THE TREATMENT OF DIABETES MELLITUS F. HOFFMANN-LA ROCHE AG (CH) 2008-10-16 WO disclosed
US-20080249101-A1 BENZOIMIDAZOLE, TETRAHYDRO-QUINOXALINE, BENZOTRIAZOLE, DIHYDRO-IMIDAZO[4,5-c] PYRIDINONE AND DIHYDRO-ISOINDOLONE DERIVATIVES HOFFMANN-LA ROCHE, INC. 2008-10-09 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 (1 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-20080249101-A1 BENZOIMIDAZOLE, TETRAHYDRO-QUINOXALINE, BENZOTRIAZOLE, DIHYDRO-IMIDAZO[4,5-c] PYRIDINONE AND DIHYDRO-ISOINDOLONE DERIVATIVES SSTR5, SSTR3, SSTR1 PARP1 3169/4885MTR 3378/4885SCN1A 1682/4885

“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.