Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL20549508

CC1CCc2c(N3CC[C@@H](C4(N)CC4)C3)c(F)cc3cc(C(=O)O)c(=O)n1c23.O=C(O)C(F)(F)F

nearest known ligand 0.66

Full drug profile on Sugi Atlas →

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SCN5A Q14524 1/20 0.66
KCNH2 Q12809 13/20 0.57
LMNA P02545 1/20 0.42
CYP3A4 P08684 1/20 0.36
PIM1 P11309 1/20 0.34
GSK3A P49840 1/20 0.34
GSK3B P49841 1/20 0.34
PIM3 Q86V86 1/20 0.34
CSNK1G1 Q9HCP0 1/20 0.34
TOP2A P11388 2/20 0.33
TOP2B Q02880 2/20 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
Hydrochloric Acid SCHEMBL20549414 0.88 SCN5A (0.70) SCN5AKCNH2LMNACYP3A4PIM1
SCHEMBL20549509 0.88 KCNH2 (0.55) SCN5AKCNH2LMNACYP3A4
Trifluoroacetic Acid SCHEMBL20549519 0.86 KCNH2 (0.68) SCN5AKCNH2TOP2ATOP2B
SCHEMBL20549954 0.83 SCN5A (0.67) SCN5AKCNH2TOP2ATOP2B
SCHEMBL20549945 0.82 KCNH2 (0.73) SCN5AKCNH2TOP2ATOP2B
SCHEMBL20549576 0.82 KCNH2 (0.73) SCN5AKCNH2TOP2ATOP2B
SCHEMBL20549586 0.82 KCNH2 (0.73) SCN5AKCNH2TOP2ATOP2B
Hydrochloric Acid SCHEMBL20549549 0.81 KCNH2 (0.72) SCN5AKCNH2TOP2ATOP2B
Hydrochloric Acid SCHEMBL20549561 0.81 SCN5A (0.67) SCN5AKCNH2LMNACYP3A4PIM1
Hydrochloric Acid SCHEMBL20549429 0.81 SCN5A (0.67) SCN5AKCNH2CYP3A4PIM1GSK3A

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-20180318311-A1 TRICYCLIC 2-QUINOLINONES AS ANTIBACTERIALS NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH INC. 2018-11-08 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-20180318311-A1 TRICYCLIC 2-QUINOLINONES AS ANTIBACTERIALS TOP1, TOP2A, TOP2B SCN5A 1467/4885KCNH2 2920/4885LMNA 1137/4885

“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.