Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL15513467

COc1cc(C)c(S(=O)(=O)N(Cc2nc(C(=O)N3CCN(CC4CCN(C)CC4)CC3)co2)C2CC2)c(C)c1.O=C(O)C(F)(F)F

nearest known ligand 0.49

Full drug profile on Sugi Atlas →

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 13/20 0.49
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
NR1H4 Q96RI1 1/20 0.35
GSK3B P49841 1/20 0.33
CACNA2D1 P54289 1/20 0.33
CACNA1B Q00975 1/20 0.33
CACNB1 Q02641 1/20 0.33
CACNA1C Q13936 1/20 0.33
CACNA1G O43497 2/20 0.33
KCNH2 Q12809 1/20 0.32

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 SCHEMBL2236026 1.00 BDKRB1 (0.49) BDKRB1NPC1RAB9ANR1H4GSK3B
SCHEMBL12346958 0.96 BDKRB1 (0.53) BDKRB1NPC1RAB9ANR1H4CACNA2D1
Trifluoroacetic Acid SCHEMBL2240775 0.93 BDKRB1 (0.41) BDKRB1NPC1RAB9ANR1H4KCNH2
Trifluoroacetic Acid SCHEMBL2238219 0.92 BDKRB1 (0.41) BDKRB1NPC1RAB9ANR1H4GSK3B
Trifluoroacetic Acid SCHEMBL2235468 0.90 BDKRB1 (0.38) BDKRB1NR1H4CACNA1GKCNH2
Trifluoroacetic Acid SCHEMBL2236920 0.89 HRH3 (0.39) BDKRB1NR1H4CACNA1GKCNH2
Trifluoroacetic Acid SCHEMBL2237764 0.89 BDKRB1 (0.39) BDKRB1NR1H4CACNA1GKCNH2
Trifluoroacetic Acid SCHEMBL2237731 0.88 BDKRB1 (0.38) BDKRB1NR1H4GSK3BCACNA1GKCNH2
Trifluoroacetic Acid SCHEMBL2238848 0.88 BDKRB1 (0.38) BDKRB1NR1H4
Trifluoroacetic Acid SCHEMBL2239561 0.88 BDKRB1 (0.39) BDKRB1NR1H4GSK3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140073627-A1 BRADYKININ B1 ANTAGONISTS EVOTEC AG (DE) 2014-03-13 US claimed

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-20140073627-A1 BRADYKININ B1 ANTAGONISTS BDKRB1, BDKRB2, BRS3 BDKRB1 1/4885NPC1 2189/4885RAB9A 2719/4885

“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.