Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL2074360

N=C(N)N[C@H](CNC(=O)c1nc(Cl)c(N)nc1N)CC1CCCCC1.O=C(O)C(F)(F)F

nearest known ligand 0.35

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCNN1A P37088 11/20 0.35
CTSA P10619 2/20 0.35
ALDH1A1 P00352 4/20 0.34
KDM4E B2RXH2 3/20 0.34
HPGD P15428 3/20 0.34
HSD17B10 Q99714 3/20 0.34
NPC1 O15118 2/20 0.34
GLA P06280 2/20 0.34
CYP1A2 P05177 2/20 0.34
CYP2D6 P10635 2/20 0.34
NFKB1 P19838 2/20 0.34
THPO P40225 2/20 0.34
HIF1A Q16665 2/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
FTO Q9C0B1 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
GMNN O75496 2/20 0.34
PMP22 Q01453 2/20 0.34

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
SCHEMBL2075553 0.94 SCNN1A (0.38) SCNN1ACTSAALDH1A1KDM4EHPGD
Trifluoroacetic Acid SCHEMBL1134573 0.83 SCNN1A (0.40) SCNN1ACTSAALDH1A1KDM4EHPGD
Trifluoroacetic Acid SCHEMBL1134627 0.81 SCNN1A (0.41) SCNN1ACTSAALDH1A1KDM4EHPGD
Trifluoroacetic Acid SCHEMBL1134547 0.81 SCNN1A (0.41) SCNN1ACTSAALDH1A1KDM4EHPGD
SCHEMBL12076319 0.79 MBOAT4 (0.31) F2GRNSORT1CYP3A4
SCHEMBL1134543 0.78 SCNN1A (0.39) SCNN1ACTSAALDH1A1KDM4EHPGD
Hydrochloric Acid SCHEMBL1134595 0.78 SCNN1A (0.39) SCNN1ACTSAALDH1A1KDM4EHPGD
SCHEMBL2076386 0.76 SCNN1A (0.45) SCNN1ACTSAALDH1A1KDM4EHPGD
SCHEMBL4334897 0.76 HDAC6 (0.34) F2
SCHEMBL1134558 0.74 SCNN1A (0.46) SCNN1ACTSAALDH1A1KDM4EHPGD

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-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

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 7/4885CTSA 3969/4885ALDH1A1 1106/4885

“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.