Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL2239561

COc1cc(C)c(S(=O)(=O)N(Cc2nc(C(=O)N3CCC(CCN4CCCC4)CC3)co2)C2CC2)c(C)c1.O=C(O)C(F)(F)F

nearest known ligand 0.39

Full drug profile on Sugi Atlas →

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 14/20 0.39
HRH3 Q9Y5N1 1/20 0.34
NR1H4 Q96RI1 1/20 0.34
GSK3B P49841 1/20 0.32
ELANE P08246 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 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
SCHEMBL12346971 0.96 BDKRB1 (0.42) BDKRB1HRH3NR1H4ELANEMEN1
Trifluoroacetic Acid SCHEMBL2235468 0.94 BDKRB1 (0.38) BDKRB1HRH3NR1H4MEN1KMT2A
Trifluoroacetic Acid SCHEMBL2236920 0.93 HRH3 (0.39) BDKRB1HRH3NR1H4MEN1KMT2A
Trifluoroacetic Acid SCHEMBL2237764 0.92 BDKRB1 (0.39) BDKRB1HRH3NR1H4ELANEMEN1
SCHEMBL12346984 0.89 BDKRB1 (0.41) BDKRB1HRH3NR1H4ELANEMEN1
SCHEMBL12346976 0.88 HRH3 (0.42) BDKRB1HRH3NR1H4ELANEMEN1
Trifluoroacetic Acid SCHEMBL2236026 0.88 BDKRB1 (0.49) BDKRB1NR1H4GSK3B
Trifluoroacetic Acid SCHEMBL2238355 0.88 BDKRB1 (0.48) BDKRB1NR1H4GSK3B
Trifluoroacetic Acid SCHEMBL15513467 0.88 BDKRB1 (0.49) BDKRB1NR1H4GSK3B
Trifluoroacetic Acid SCHEMBL2237812 0.88 BDKRB1 (0.39) BDKRB1NR1H4MEN1KMT2A

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 1/4885HRH3 11/4885NR1H4 954/4885
US-20110201589-A1 NEW BRADYKININ B1 ANTAGONISTS BDKRB1, BDKRB2, BRS3 BDKRB1 1/4885HRH3 11/4885NR1H4 936/4885

“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.