Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL722015

CN1CCc2cc3nccnc3cc2CC1.O=C(O)C(F)(F)F

nearest known ligand 0.40

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 3/20 0.40
HRH3 Q9Y5N1 2/20 0.40
MEN1 O00255 1/20 0.40
GLA P06280 1/20 0.40
GAA P10253 1/20 0.40
KMT2A Q03164 1/20 0.40
DRD2 P14416 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
DRD1 P21728 1/20 0.36
DRD5 P21918 1/20 0.36
DRD3 P35462 1/20 0.36
WHR1 P49842 1/20 0.35
ESR1 P03372 2/20 0.35
ESR2 Q92731 2/20 0.35
SLC2A1 P11166 1/20 0.35
HPGD P15428 1/20 0.34
HIF1A Q16665 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
HTT P42858 1/20 0.34

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
SCHEMBL717813 0.83 MEN1 (0.52) HRH3MEN1GLAGAAKMT2A
SCHEMBL719748 0.79 ESR1 (0.52) ESR1ESR2HPGDHDAC1HDAC6
SCHEMBL720039 0.75 HPGD (0.41) HRH4MEN1GLAGAAKMT2A
SCHEMBL3715395 0.75 ESR1 (0.48) ESR1ESR2HPGDHDAC1HDAC6
Trifluoroacetic Acid SCHEMBL22283853 0.72 HRH4 (0.35) HRH4HRH3L3MBTL1HIF1AHDAC1
Trifluoroacetic Acid SCHEMBL5462696 0.72 ESR1 (0.64) HRH3DRD2DRD1DRD5DRD3
Trifluoroacetic Acid SCHEMBL23292174 0.71 CYP1A2 (0.46) HRH4HRH3L3MBTL1WHR1HIF1A
Trifluoroacetic Acid SCHEMBL2265273 0.69 HRH4 (0.39) HRH4HRH3DRD2DRD1HIF1A
SCHEMBL16595251 0.68 HDAC1 (0.33) MEN1KMT2AHDAC1HDAC6HTT
Trifluoroacetic Acid SCHEMBL2265470 0.67 HRH4 (0.38) HRH4HRH3DRD2DRD1HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120053168-A1 FUSED BENZOAZEPINES AS NEURONAL NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS TARGACEPT, INC. (US) 2012-03-01 US disclosed
WO-2010096384-A2 FUSED BENZAZEPINES AS NEURONAL NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS TARGACEPT, INC. (US) 2010-08-26 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 (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-20120053168-A1 FUSED BENZOAZEPINES AS NEURONAL NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS CHRNA2, CHRNA5, CHRNA10 HRH4 319/4885HRH3 251/4885MEN1 3691/4885

“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.