Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL4238449

CCCC(=O)Nc1ccc(-c2nnc(NCCCN(CC)CC)o2)cc1.O=C(O)C(F)(F)F

nearest known ligand 0.63

Full drug profile on Sugi Atlas →

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 12/20 0.63
KCNH2 Q12809 10/20 0.63
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
PARP3 Q9Y6F1 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
KDM4E B2RXH2 1/20 0.42
GAA P10253 1/20 0.42
MAPK1 P28482 1/20 0.42
HTT P42858 1/20 0.42
TP53 P04637 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
HSD17B10 Q99714 1/20 0.41
USP2 O75604 1/20 0.41
HPGD P15428 1/20 0.41
TSHR P16473 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
ALDH1A1 P00352 1/20 0.41

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
SCHEMBL13878556 0.93 CHRNA7 (0.67) CHRNA7KCNH2NPC1RAB9APARP3
Trifluoroacetic Acid SCHEMBL4243437 0.93 CHRNA7 (0.65) CHRNA7KCNH2NPC1RAB9AHTT
Trifluoroacetic Acid SCHEMBL4244896 0.89 CHRNA7 (0.61) CHRNA7KCNH2NPC1RAB9ASMN1; SMN2
Trifluoroacetic Acid SCHEMBL4244808 0.86 CHRNA7 (0.61) CHRNA7KCNH2MAPK1
SCHEMBL13878633 0.85 CHRNA7 (0.69) CHRNA7KCNH2NPC1RAB9AHTT
Trifluoroacetic Acid SCHEMBL4243421 0.85 CHRNA7 (0.67) CHRNA7KCNH2SMN1; SMN2KDM4ETP53
Trifluoroacetic Acid SCHEMBL4239627 0.85 CHRNA7 (0.47) CHRNA7KCNH2KDM4EGAAHSD17B10
Trifluoroacetic Acid SCHEMBL4247316 0.84 CHRNA7 (0.59) CHRNA7KCNH2KDM4EHPGD
Trifluoroacetic Acid SCHEMBL4243478 0.84 CHRNA7 (0.61) CHRNA7KCNH2RAB9ASMN1; SMN2KDM4E
Trifluoroacetic Acid SCHEMBL4241924 0.84 CHRNA7 (0.90) CHRNA7KCNH2

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 815/4885NPC1 1641/4885

“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.