Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL4770823

Cc1nc2cc(C(=O)Nc3ccc4c(c3)CCN(C3CCC3)CC4)ccc2[nH]1.O=C(O)C(F)(F)F

nearest known ligand 0.47

Full drug profile on Sugi Atlas →

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 2/20 0.47
HRH3 Q9Y5N1 5/20 0.42
POLB P06746 1/20 0.41
RAB9A P51151 3/20 0.40
NPC1 O15118 2/20 0.40
NFKB1 P19838 2/20 0.40
NFKB2 Q00653 2/20 0.40
RELA Q04206 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
TRPV1 Q8NER1 1/20 0.39
L3MBTL3 Q96JM7 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
TP53 P04637 1/20 0.38
TMPRSS2 O15393 1/20 0.38
MLLT1 Q03111 1/20 0.38

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
SCHEMBL4770147 0.94 HRH3 (0.46) HRH3POLBRAB9ANPC1NFKB1
Trifluoroacetic Acid SCHEMBL4768268 0.83 SLC2A1 (0.47) SLC2A1HRH3RAB9ANPC1NFKB1
Trifluoroacetic Acid SCHEMBL4772603 0.82 SLC2A1 (0.50) SLC2A1HRH3POLBRAB9ANPC1
Trifluoroacetic Acid SCHEMBL4772660 0.82 ESR1 (0.50) SLC2A1HRH3RAB9ANPC1NFKB1
Trifluoroacetic Acid SCHEMBL4775692 0.81 RAB9A (0.52) SLC2A1HRH3POLBRAB9ANPC1
Trifluoroacetic Acid SCHEMBL4767916 0.81 TMPRSS2 (0.55) SLC2A1HRH3POLBRAB9ANPC1
Trifluoroacetic Acid SCHEMBL4769820 0.81 ALDH1A1 (0.46) SLC2A1HRH3RAB9ANPC1NFKB1
Trifluoroacetic Acid SCHEMBL4774281 0.81 SLC2A1 (0.58) SLC2A1HRH3RAB9ANPC1NFKB1
Trifluoroacetic Acid SCHEMBL4775302 0.80 MAPT (0.48) SLC2A1POLBRAB9ANPC1SMN1; SMN2
Trifluoroacetic Acid SCHEMBL4767622 0.80 HRH3 (0.51) SLC2A1HRH3RAB9ANPC1TRPV1

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 4665/4885HRH3 1/4885POLB 4330/4885

“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.