Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3537552

CCC(N)(CC)c1cccc(-c2cc(C#N)cc3ncn(-c4ccccc4)c23)c1.O=C(O)C(F)(F)F

nearest known ligand 0.39

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 1/20 0.39
GABRA1 P14867 1/20 0.39
GABRG2 P18507 1/20 0.39
GABRB3 P28472 1/20 0.39
GABRA5 P31644 1/20 0.39
GABRA3 P34903 1/20 0.39
FGFR1 P11362 2/20 0.36
XDH P47989 1/20 0.34
CTSK P43235 1/20 0.34
SLC5A1 P13866 4/20 0.33
GRIN1 Q05586 1/20 0.33
GRIN2B Q13224 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
EIF4EBP1 Q13541 2/20 0.33
ELANE P08246 1/20 0.33
KDM4E B2RXH2 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
SLC16A3 O15427 1/20 0.33
SLC16A1 P53985 1/20 0.33

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
SCHEMBL2656884 0.93 FGFR1 (0.41) PLK1GABRA1GABRG2GABRB3GABRA5
Trifluoroacetic Acid SCHEMBL2662668 0.83 PTGDR2 (0.37) GABRA1GABRG2GABRB3GABRA5GABRA3
Trifluoroacetic Acid SCHEMBL3537556 0.83 FGFR1 (0.36) PLK1GABRA1GABRG2GABRB3GABRA5
Trifluoroacetic Acid SCHEMBL2660115 0.79 SLC2A1 (0.36) FGFR1PTGDR2SMN1; SMN2
Trifluoroacetic Acid SCHEMBL2659116 0.79 SLC2A1 (0.43) KDM4EHTT
SCHEMBL2662670 0.78 FFAR1 (0.36) PLK1GABRA1GABRG2GABRB3GABRA5
SCHEMBL2656607 0.76 FGFR1 (0.46) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL2657491 0.76 FGFR1 (0.45) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL2654095 0.75 FGFR1 (0.44) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL2656918 0.75 FGFR1 (0.42) GABRA1GABRG2GABRB3GABRA5GABRA3

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-7700638-B2 1,5,7-trisubstituted benzimidazole derivatives and their use for modulating the GABAA receptor complex N. V. ORGANON (NL) 2010-04-20 US disclosed
US-20070021482-A1 1,5,7-Trisubstituted benzimidazole derivatives and their use for modulating the gabaa receptor complex N.V. ORGANON (NL) 2007-01-25 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-20070021482-A1 1,5,7-Trisubstituted benzimidazole derivatives and their use for modulating the gabaa receptor complex GABRB1, GABRA5, GABRB2 PLK1 2601/4885GABRA1 5/4885GABRG2 17/4885

“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.