Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL4774309

O=C(Nc1ccc2c(c1)CCN(C1CCC1)CC2)c1cnc2ccccc2c1.O=C(O)C(F)(F)F

nearest known ligand 0.50

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 5/20 0.50
ABCG2 Q9UNQ0 3/20 0.50
SLC2A1 P11166 2/20 0.48
BRAF P15056 1/20 0.45
ACKR3 P25106 3/20 0.45
TRPV1 Q8NER1 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
NPC1 O15118 1/20 0.43
TP53 P04637 1/20 0.43
GAA P10253 1/20 0.43
NFKB1 P19838 1/20 0.43
HTT P42858 1/20 0.43
RAB9A P51151 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
HRH3 Q9Y5N1 3/20 0.43
KDR P35968 1/20 0.43
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 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
SCHEMBL4793943 0.94 ABCB1 (0.55) ABCB1ABCG2ACKR3TRPV1SMN1; SMN2
Trifluoroacetic Acid SCHEMBL4765215 0.87 SMN1; SMN2 (0.47) ABCB1ABCG2SLC2A1BRAFACKR3
Trifluoroacetic Acid SCHEMBL4767916 0.87 TMPRSS2 (0.55) ABCB1ABCG2SLC2A1TRPV1SMN1; SMN2
Trifluoroacetic Acid SCHEMBL4770760 0.84 HRH3 (0.50) ABCB1ABCG2SLC2A1SMN1; SMN2NPC1
Trifluoroacetic Acid SCHEMBL4765701 0.84 MAPT (0.48) ABCB1ABCG2SLC2A1ACKR3SMN1; SMN2
Trifluoroacetic Acid SCHEMBL4769820 0.81 ALDH1A1 (0.46) SLC2A1SMN1; SMN2NPC1TP53GAA
Trifluoroacetic Acid SCHEMBL4774281 0.81 SLC2A1 (0.58) SLC2A1TRPV1SMN1; SMN2NPC1TP53
Trifluoroacetic Acid SCHEMBL4765533 0.80 HRH3 (0.61) SLC2A1TRPV1SMN1; SMN2NPC1TP53
Trifluoroacetic Acid SCHEMBL4768548 0.80 ALDH1A1 (0.64) SLC2A1TRPV1SMN1; SMN2NPC1TP53
Trifluoroacetic Acid SCHEMBL4774158 0.80 TMPRSS2 (0.55) ABCB1ABCG2SLC2A1ACKR3SMN1; SMN2

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 ABCB1 1160/4885ABCG2 737/4885SLC2A1 4665/4885

“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.