Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL1134500

COc1ccc(CCCC(N)CNC(=O)c2nc(Cl)c(N)nc2N)cc1.O=C(O)C(F)(F)F

nearest known ligand 0.56

Full drug profile on Sugi Atlas →

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SCNN1A P37088 13/20 0.56
KCNH2 Q12809 1/20 0.43

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
SCHEMBL1134567 0.94 SCNN1A (0.61) SCNN1A
Trifluoroacetic Acid SCHEMBL1429046 0.82 SCNN1A (0.56) SCNN1AKCNH2
Trifluoroacetic Acid SCHEMBL1134656 0.82 SCNN1A (0.50) SCNN1A
SCHEMBL2074093 0.79 SCNN1A (0.56) SCNN1AKCNH2
Trifluoroacetic Acid SCHEMBL1428034 0.78 SCNN1A (0.49) SCNN1AKCNH2
Hydrochloric Acid SCHEMBL1134670 0.78 SCNN1A (0.55) SCNN1AKCNH2
Hydrochloric Acid SCHEMBL1134530 0.78 SCNN1A (0.55) SCNN1AKCNH2
Trifluoroacetic Acid SCHEMBL1134632 0.77 KCNH2 (0.67) SCNN1AKCNH2
SCHEMBL4313502 0.77 POLB (0.44)
SCHEMBL12379799 0.77 SCNN1A (0.54) SCNN1AKCNH2

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-20110059989-A1 3,5-DIAMINO-6-CHLORO-PYRAZINE-2-CARBOXYLIC ACID DERIVATIVES AND THEIR USE AS EPITHELIAL SODIUM CHANNEL BLOCKERS FOR THE TREATMENT OF AIRWAY DISEASES NOVARTIS AG (CH) 2011-03-10 US disclosed
EP-2285785-A1 3,5-DIAMINO-6-CHLORO-PYRAZINE-2-CARBOXYLIC ACID DERIVATIVES AND THEIR USE AS EPITHELIAL SODIUM CHANNEL BLOCKERS FOR THE TREATMENT OF ARWAY DISEASES Novartis AG (CH) 2011-02-23 EP 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-20110059989-A1 3,5-DIAMINO-6-CHLORO-PYRAZINE-2-CARBOXYLIC ACID DERIVATIVES AND THEIR USE AS EPITHELIAL SODIUM CHANNEL BLOCKERS FOR THE TREATMENT OF AIRWAY DISEASES CFTR, SCN5A, SCNN1B SCNN1A 7/4885KCNH2 18/4885

“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.