Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL2238948

COc1cc(C)c(S(=O)(=O)N(C)Cc2noc(C(=O)N3CCN(C4CCN(C)CC4)CC3)n2)c(C)c1.O=C(O)C(F)(F)F

nearest known ligand 0.55

Full drug profile on Sugi Atlas →

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 19/20 0.55
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL12347433 0.95 BDKRB1 (0.60) BDKRB1
Trifluoroacetic Acid SCHEMBL2237269 0.90 BDKRB1 (0.56) BDKRB1
SCHEMBL2237528 0.86 BDKRB1 (0.52) BDKRB1KDM4EALDH1A1
SCHEMBL12347438 0.84 BDKRB1 (0.61) BDKRB1
Trifluoroacetic Acid SCHEMBL2243344 0.84 BDKRB1 (0.53) BDKRB1
Trifluoroacetamide SCHEMBL304125 0.81 BDKRB1 (0.56) BDKRB1
SCHEMBL2238267 0.81 BDKRB1 (0.62) BDKRB1
SCHEMBL12347393 0.81 BDKRB1 (0.62) BDKRB1
Trifluoroacetamide SCHEMBL2237132 0.80 BDKRB1 (0.47) BDKRB1
SCHEMBL2242211 0.80 BDKRB1 (0.49) BDKRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140073627-A1 BRADYKININ B1 ANTAGONISTS EVOTEC AG (DE) 2014-03-13 US claimed
US-20110201589-A1 NEW BRADYKININ B1 ANTAGONISTS EVOTEC AG (DE) 2011-08-18 US claimed
US-20140073627-A1 BRADYKININ B1 ANTAGONISTS EVOTEC AG (DE) 2014-03-13 US disclosed
US-8623859-B2 Bradykinin B1 antagonists EVOTEC AG (DE) 2014-01-07 US disclosed
US-20110201589-A1 NEW BRADYKININ B1 ANTAGONISTS EVOTEC AG (DE) 2011-08-18 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 (2 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 1/4885KDM4E 2806/4885ALDH1A1 3283/4885
US-20110201589-A1 NEW BRADYKININ B1 ANTAGONISTS BDKRB1, BDKRB2, BRS3 BDKRB1 1/4885KDM4E 2968/4885ALDH1A1 3363/4885

“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.