Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL4768268

O=C(Nc1ccc2c(c1)CCN(C1CCC1)CC2)c1ccc2[nH]ccc2c1.O=C(O)C(F)(F)F

nearest known ligand 0.47

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Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.47
MAOA P21397 1/20 0.47
MAOB P27338 1/20 0.47
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
MAPT P10636 1/20 0.45
ESR1 P03372 3/20 0.45
BRAF P15056 1/20 0.45
HRH3 Q9Y5N1 1/20 0.42
CHRNA7 P36544 1/20 0.42
TRPV1 Q8NER1 1/20 0.41
PLAU P00749 1/20 0.41
TP53 P04637 1/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ROCK2 O75116 1/20 0.41
CHRM2 P08172 1/20 0.40

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 SCHEMBL4772660 0.94 ESR1 (0.50) SLC2A1NPC1RAB9AMAPTESR1
SCHEMBL4768412 0.94 MAOA (0.53) MAOAMAOBNPC1RAB9AMAPT
SCHEMBL4768483 0.87 ALDH1A1 (0.51) MAOAMAOBNPC1RAB9AMAPT
Trifluoroacetic Acid SCHEMBL4767916 0.85 TMPRSS2 (0.55) SLC2A1NPC1RAB9AMAPTHRH3
Trifluoroacetic Acid SCHEMBL4774281 0.83 SLC2A1 (0.58) SLC2A1NPC1RAB9AMAPTHRH3
Trifluoroacetic Acid SCHEMBL4770823 0.83 SLC2A1 (0.47) SLC2A1NPC1RAB9AMAPTHRH3
Trifluoroacetic Acid SCHEMBL4775559 0.82 SLC2A1 (0.47) SLC2A1NPC1RAB9AMAPTHRH3
Trifluoroacetic Acid SCHEMBL4767622 0.82 HRH3 (0.51) SLC2A1NPC1RAB9AHRH3TRPV1
Trifluoroacetic Acid SCHEMBL4765505 0.81 SLC2A1 (0.50) SLC2A1NPC1RAB9AMAPTHRH3
Trifluoroacetic Acid SCHEMBL4775284 0.80 NPC1 (0.52) SLC2A1MAOBNPC1RAB9AMAPT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1713778-B1 BENZAZEPINE DERIVATIVES AS HISTAMINE H3 ANTAGONISTS GLAXO GROUP LTD (GB) 2008-01-16 EP claimed
US-20070060566-A1 Benzazepine derivatives as histamine h3 antagonists GLAXO GROUP LIMITED (GB) 2007-03-15 US claimed
EP-1713778-B1 BENZAZEPINE DERIVATIVES AS HISTAMINE H3 ANTAGONISTS GLAXO GROUP LTD (GB) 2008-01-16 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-20070060566-A1 Benzazepine derivatives as histamine h3 antagonists HRH3, HRH4, HRH1 SLC2A1 4665/4885MAOA 185/4885MAOB 151/4885

“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.