Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL4530230

CN(C)C(=O)CCCC(N)=O.O=C(O)C(F)(F)F

nearest known ligand 0.47

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.47
CHRNB2 P17787 1/20 0.40
CHRNB4 P30926 1/20 0.40
CHRNA4 P43681 1/20 0.40
CHRM2 P08172 2/20 0.37
CHRM4 P08173 2/20 0.37
CHRM5 P08912 2/20 0.37
CHRM1 P11229 2/20 0.37
CHRM3 P20309 2/20 0.37
LMNA P02545 1/20 0.34
HDAC3 O15379 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC7 Q8WUI4 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC10 Q969S8 1/20 0.33
HDAC11 Q96DB2 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
HDAC9 Q9UKV0 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
SCHEMBL7153729 0.85 ALDH1A1 (0.61) ALDH1A1CHRNB2CHRNB4CHRNA4LMNA
Hydrochloric Acid SCHEMBL6214818 0.83 ALDH1A1 (0.58) ALDH1A1CHRNB2CHRNB4CHRNA4LMNA
Trifluoroacetic Acid SCHEMBL30169296 0.83 SLC22A6 (0.38) ALDH1A1HDAC6FAAHNOS1NOS2
Trifluoroacetic Acid SCHEMBL30882498 0.83 SLC22A6 (0.38) ALDH1A1HDAC6FAAHNOS1NOS2
SCHEMBL1291925 0.81 ALDH1A1 (0.61) ALDH1A1CHRNB2CHRNB4CHRNA4LMNA
Trifluoroacetic Acid SCHEMBL1329793 0.80 ALDH1A1 (0.40) ALDH1A1CHRNB2CHRNB4CHRNA4CHRM2
Trifluoroacetic Acid SCHEMBL6886600 0.80 NOS1 (0.33) ALDH1A1CHRM2CHRM4CHRM5CHRM1
SCHEMBL15254336 0.79 ALDH1A1 (0.58) ALDH1A1CHRNB2CHRNB4CHRNA4FAAH
SCHEMBL1160178 0.79 ALDH1A1 (0.58) ALDH1A1CHRNB2CHRNB4CHRNA4FAAH
Hydrochloric Acid SCHEMBL19873292 0.79 ALDH1A1 (0.58) ALDH1A1CHRNB2CHRNB4CHRNA4LMNA

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-20090326003-A1 PYRAZOLO (3, 4-B) PYRIDINE DERIVATIVES AS PDE4 INHIBITORS GLAXO GROUP LIMITED (GB) 2009-12-31 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-20090326003-A1 PYRAZOLO (3, 4-B) PYRIDINE DERIVATIVES AS PDE4 INHIBITORS PDE4A, PDE4B, PDE12 ALDH1A1 692/4885CHRNB2 2228/4885CHRNB4 551/4885

“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.