Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL2237741

COc1cc(C)c(S(=O)(=O)N(Cc2noc(C(=O)N(C)Cc3ccc(CN4CCCC4)cc3)n2)C2CC2)c(C)c1.O=C(O)C(F)(F)F

nearest known ligand 0.37

Full drug profile on Sugi Atlas →

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EP300 Q09472 1/20 0.37
HIF1A Q16665 1/20 0.37
MCHR1 Q99705 3/20 0.35
KCNH2 Q12809 1/20 0.35
BDKRB1 P46663 3/20 0.34
CXCR4 P61073 2/20 0.34
HRH3 Q9Y5N1 3/20 0.33
SLC2A1 P11166 2/20 0.33
LMNA P02545 2/20 0.33
KMT2A Q03164 1/20 0.32
OPRD1 P41143 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
SCHEMBL12347439 0.95 EP300 (0.41) EP300HIF1AMCHR1KCNH2BDKRB1
Trifluoroacetic Acid SCHEMBL2239051 0.88 AVPR1B (0.35) BDKRB1
Trifluoroacetamide SCHEMBL2243348 0.87 BDKRB1 (0.38) BDKRB1CXCR4HRH3LMNAKMT2A
SCHEMBL12347429 0.86 BDKRB1 (0.42) BDKRB1CXCR4HRH3LMNAKMT2A
SCHEMBL2237992 0.83 BDKRB1 (0.35) BDKRB1KMT2A
SCHEMBL12347441 0.82 AVPR1B (0.37) BDKRB1
SCHEMBL2236641 0.82 EP300 (0.41) EP300HIF1AMCHR1KCNH2BDKRB1
SCHEMBL2239968 0.81 EP300 (0.41) EP300HIF1AMCHR1BDKRB1CXCR4
Trifluoroacetic Acid SCHEMBL2238507 0.80 BDKRB1 (0.40) MCHR1KCNH2BDKRB1CXCR4HRH3
SCHEMBL2237371 0.78 EP300 (0.41) EP300HIF1AMCHR1BDKRB1CXCR4

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 EP300 2750/4885HIF1A 545/4885MCHR1 344/4885
US-20110201589-A1 NEW BRADYKININ B1 ANTAGONISTS BDKRB1, BDKRB2, BRS3 EP300 2584/4885HIF1A 671/4885MCHR1 366/4885

“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.