Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3527475

N=C(NCCNC(=O)c1ccc(C(=O)NCCNC(=N)NC(=O)c2nc(Cl)c(N)nc2N)c(O)c1O)NC(=O)c1nc(Cl)c(N)nc1N.O=C(O)C(F)(F)F

nearest known ligand 0.43

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCNN1A P37088 15/20 0.43
ALDH1A1 P00352 6/20 0.43
HSD17B10 Q99714 4/20 0.43
KDM4E B2RXH2 4/20 0.43
HPGD P15428 4/20 0.43
GLA P06280 4/20 0.43
CYP1A2 P05177 3/20 0.43
CYP2D6 P10635 3/20 0.43
THPO P40225 3/20 0.43
NPC1 O15118 2/20 0.43
NFKB1 P19838 2/20 0.43
HIF1A Q16665 2/20 0.43
GAA P10253 2/20 0.43
MAPT P10636 2/20 0.43
FTO Q9C0B1 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
RAB9A P51151 1/20 0.43
GMNN O75496 3/20 0.43
PMP22 Q01453 3/20 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
Trifluoroacetic Acid SCHEMBL5014164 0.83 SCNN1A (0.51) SCNN1AALDH1A1HSD17B10KDM4EHPGD
Trifluoroacetic Acid SCHEMBL3520459 0.82 SCNN1A (0.54) SCNN1AALDH1A1HSD17B10KDM4EHPGD
SCHEMBL5014168 0.81 SCNN1A (0.53) SCNN1AALDH1A1HSD17B10KDM4EHPGD
Trifluoroacetic Acid SCHEMBL5014156 0.81 SCNN1A (0.40) SCNN1AALDH1A1HSD17B10KDM4EHPGD
Trifluoroacetic Acid SCHEMBL3524032 0.81 KCNH2 (0.51) SCNN1AALDH1A1HSD17B10KDM4EHPGD
Trifluoroacetic Acid SCHEMBL3527480 0.80 SCNN1A (0.46) SCNN1AALDH1A1HSD17B10KDM4EHPGD
Trifluoroacetic Acid SCHEMBL4650652 0.80 SCNN1A (0.37) SCNN1AALDH1A1HSD17B10KDM4EHPGD
Trifluoroacetic Acid SCHEMBL3527580 0.78 SCNN1A (0.43) SCNN1AALDH1A1HSD17B10KDM4EHPGD
SCHEMBL13995455 0.78 SCNN1A (0.51) SCNN1AALDH1A1HSD17B10KDM4EHPGD
SCHEMBL13995446 0.78 SCNN1A (0.51) SCNN1AALDH1A1HSD17B10KDM4EHPGD

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-7803804-B2 Substituted pyrazines for use in the treatment of inflammatory or allergic conditions NOVARTIS AG (CH) 2010-09-28 US disclosed
US-20080312217-A1 Organic Compounds NOVARTIS AG 2008-12-18 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-20080312217-A1 Organic Compounds TRPA1, TRPV1, CHRM1 SCNN1A 13/4885ALDH1A1 567/4885HSD17B10 3142/4885

“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.