Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3524032

N=C(NCCCCNC(=O)Cc1ccc(CC(=O)NCCCCNC(=N)NC(=O)c2nc(Cl)c(N)nc2N)cc1)NC(=O)c1nc(Cl)c(N)nc1N.O=C(O)C(F)(F)F

nearest known ligand 0.51

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.51
SCNN1A P37088 16/20 0.44
HSD17B10 Q99714 3/20 0.44
ALDH1A1 P00352 3/20 0.44
KDM4E B2RXH2 2/20 0.44
GLA P06280 2/20 0.44
HPGD P15428 2/20 0.44
CYP1A2 P05177 2/20 0.44
CYP2D6 P10635 2/20 0.44
THPO P40225 2/20 0.44
NPC1 O15118 2/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
NFKB1 P19838 1/20 0.44
HIF1A Q16665 1/20 0.44
FTO Q9C0B1 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
GMNN O75496 1/20 0.43
BLM P54132 1/20 0.43
PMP22 Q01453 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
Trifluoroacetic Acid SCHEMBL5014164 0.92 SCNN1A (0.51) KCNH2SCNN1AHSD17B10ALDH1A1KDM4E
SCHEMBL13995447 0.91 KCNH2 (0.58) KCNH2SCNN1AHSD17B10ALDH1A1KDM4E
SCHEMBL5065778 0.89 KCNH2 (0.56) KCNH2SCNN1AHSD17B10ALDH1A1KDM4E
SCHEMBL13995451 0.87 SCNN1A (0.55) KCNH2SCNN1AHSD17B10ALDH1A1KDM4E
Trifluoroacetic Acid SCHEMBL25334918 0.84 SCNN1A (0.48) SCNN1A
Trifluoroacetic Acid SCHEMBL30605318 0.84 SCNN1A (0.48) SCNN1A
Trifluoroacetic Acid SCHEMBL3520459 0.84 SCNN1A (0.54) KCNH2SCNN1AHSD17B10ALDH1A1KDM4E
Hydrochloric Acid SCHEMBL21221564 0.83 SCNN1A (0.55) SCNN1A
SCHEMBL13165922 0.82 SCNN1A (0.51) SCNN1AHSD17B10ALDH1A1KDM4EGLA
SCHEMBL25943796 0.82 SCNN1A (0.53) SCNN1A

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 KCNH2 209/4885SCNN1A 13/4885HSD17B10 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.