Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL4244808

CCN(CC)CCCNc1nnc(-c2ccc(NC(=O)C3CC3)cc2)o1.O=C(O)C(F)(F)F

nearest known ligand 0.61

Full drug profile on Sugi Atlas →

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 16/20 0.61
KCNH2 Q12809 14/20 0.61
MAPK1 P28482 1/20 0.42

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 SCHEMBL4243478 0.97 CHRNA7 (0.61) CHRNA7KCNH2
Trifluoroacetic Acid SCHEMBL4247316 0.97 CHRNA7 (0.59) CHRNA7KCNH2
SCHEMBL13878563 0.94 CHRNA7 (0.65) CHRNA7KCNH2
SCHEMBL13878574 0.90 CHRNA7 (0.68) CHRNA7KCNH2
SCHEMBL13878568 0.90 CHRNA7 (0.65) CHRNA7KCNH2
Trifluoroacetic Acid SCHEMBL4243437 0.89 CHRNA7 (0.65) CHRNA7KCNH2
SCHEMBL4246891 0.89 CHRNA7 (0.69) CHRNA7KCNH2
SCHEMBL4249946 0.86 CHRNA7 (0.70) CHRNA7KCNH2
Trifluoroacetic Acid SCHEMBL4238449 0.86 CHRNA7 (0.63) CHRNA7KCNH2MAPK1
Trifluoroacetic Acid SCHEMBL4244896 0.84 CHRNA7 (0.61) CHRNA7KCNH2MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090105217-A1 2-PHENYL-5-AMINO-1,3,4-OXADIAZOLES AND THEIR USE AS NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS GLAXO GROUP LIMITED (GB) 2009-04-23 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-20090105217-A1 2-PHENYL-5-AMINO-1,3,4-OXADIAZOLES AND THEIR USE AS NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS CHRNA7, CHRNA5, CHRNA2 CHRNA7 1/4885KCNH2 815/4885MAPK1 1809/4885

“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.