Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL4244896

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

nearest known ligand 0.61

Full drug profile on Sugi Atlas →

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 13/20 0.61
KCNH2 Q12809 10/20 0.61
GPR35 Q9HC97 1/20 0.43
ALDH1A1 P00352 3/20 0.42
HPGD P15428 2/20 0.42
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
PTPN1 P18031 1/20 0.41
HSD17B10 Q99714 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MAPK1 P28482 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MEN1 O00255 1/20 0.40
TP53 P04637 1/20 0.40
KMT2A Q03164 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
SCHEMBL13878559 0.94 CHRNA7 (0.65) CHRNA7KCNH2GPR35ALDH1A1HPGD
Trifluoroacetic Acid SCHEMBL4243437 0.91 CHRNA7 (0.65) CHRNA7KCNH2ALDH1A1NPC1RAB9A
Trifluoroacetic Acid SCHEMBL4238449 0.89 CHRNA7 (0.63) CHRNA7KCNH2ALDH1A1HPGDNPC1
Trifluoroacetic Acid SCHEMBL4239253 0.85 CHRNA7 (0.46) CHRNA7KCNH2ALDH1A1HPGDHSD17B10
Trifluoroacetic Acid SCHEMBL4244808 0.84 CHRNA7 (0.61) CHRNA7KCNH2MAPK1
SCHEMBL13878633 0.84 CHRNA7 (0.69) CHRNA7KCNH2ALDH1A1NPC1RAB9A
Trifluoroacetic Acid SCHEMBL4243421 0.83 CHRNA7 (0.67) CHRNA7KCNH2KDM4ESMN1; SMN2MEN1
Trifluoroacetic Acid SCHEMBL4247316 0.83 CHRNA7 (0.59) CHRNA7KCNH2HPGDKDM4E
Trifluoroacetic Acid SCHEMBL4243478 0.83 CHRNA7 (0.61) CHRNA7KCNH2HPGDRAB9AHSD17B10
SCHEMBL13878556 0.82 CHRNA7 (0.67) CHRNA7KCNH2ALDH1A1HPGDNPC1

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 815/4885GPR35 67/4885

“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.