Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL20549264

C[C@H]1COc2c(N3CC[C@@H](C4(N)CC4)C3)c(F)c(C#N)c3cc(C(=O)O)c(=O)n1c23.O=C(O)C(F)(F)F

nearest known ligand 0.61

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 11/20 0.61
SCN5A Q14524 1/20 0.47
AADAT Q8N5Z0 2/20 0.37
KDM4E B2RXH2 4/20 0.36
TUBB4A P04350 1/20 0.36
POLB P06746 1/20 0.36
TUBB P07437 1/20 0.36
TUBA3C P0DPH7 1/20 0.36
TUBA1B P68363 1/20 0.36
TUBA4A P68366 1/20 0.36
TUBB4B P68371 1/20 0.36
TUBB3 Q13509 1/20 0.36
TUBB2A Q13885 1/20 0.36
TUBB8 Q3ZCM7 1/20 0.36
TUBA3E Q6PEY2 1/20 0.36
TUBA1A Q71U36 1/20 0.36
SLC47A1 Q96FL8 1/20 0.36
TUBA1C Q9BQE3 1/20 0.36
TUBB6 Q9BUF5 1/20 0.36
TUBB2B Q9BVA1 1/20 0.36

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
SCHEMBL20549265 0.90 KCNH2 (0.52) KCNH2SCN5AAADATKDM4ETUBB4A
Hydrochloric Acid SCHEMBL20549818 0.86 KCNH2 (0.70) KCNH2SCN5AAADATKDM4ETUBB4A
SCHEMBL20549439 0.86 KCNH2 (0.69) KCNH2SCN5AAADATKDM4ETUBB4A
SCHEMBL20549569 0.86 KCNH2 (0.69) KCNH2SCN5AAADATKDM4ETUBB4A
Trifluoroacetic Acid SCHEMBL20549274 0.85 KCNH2 (0.65) KCNH2SCN5AAADATKDM4ETUBB4A
Hydrochloric Acid SCHEMBL20549816 0.85 KCNH2 (0.68) KCNH2SCN5AAADATKDM4ETUBB4A
SCHEMBL20549421 0.84 KCNH2 (0.67) KCNH2SCN5AAADATKDM4ETUBB4A
SCHEMBL20549326 0.84 KCNH2 (0.67) KCNH2SCN5AAADATKDM4ETUBB4A
Trifluoroacetic Acid SCHEMBL20549519 0.84 KCNH2 (0.68) KCNH2SCN5AAADATKDM4ETUBB4A
Trifluoroacetic Acid SCHEMBL20549531 0.84 KCNH2 (0.76) KCNH2SCN5AAADATKDM4ETUBB4A

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-20180318311-A1 TRICYCLIC 2-QUINOLINONES AS ANTIBACTERIALS NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH INC. 2018-11-08 US disclosed
WO-2018203302-A1 TRICYCLIC 2-QUINOLINONES AS ANTIBACTERIALS NOVARTIS AG (CH) 2018-11-08 WO 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-20180318311-A1 TRICYCLIC 2-QUINOLINONES AS ANTIBACTERIALS TOP1, TOP2A, TOP2B KCNH2 2920/4885SCN5A 1467/4885AADAT 2848/4885

“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.