Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL2238356

CCNCc1ccc(CN2CCCC2)cc1.O=C(O)C(F)(F)F

nearest known ligand 0.51

Full drug profile on Sugi Atlas →

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 1/20 0.51
KDM4E B2RXH2 2/20 0.48
ALDH1A1 P00352 2/20 0.48
HDAC1 Q13547 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
HRH3 Q9Y5N1 5/20 0.45
KMT2A Q03164 1/20 0.45
KCNJ1 P48048 1/20 0.45
MCHR1 Q99705 1/20 0.45
SLC2A1 P11166 1/20 0.45

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
SCHEMBL2240334 0.85 NCF1 (0.68) NCF1KDM4EALDH1A1HRH3KMT2A
SCHEMBL21730436 0.84 NCF1 (0.66) NCF1KDM4EALDH1A1HRH3KMT2A
Trifluoroacetic Acid SCHEMBL2267986 0.79 SIGMAR1 (0.57) KDM4EALDH1A1HRH3KMT2A
Trifluoroacetic Acid SCHEMBL2267982 0.79 SIGMAR1 (0.57) KDM4EALDH1A1HRH3KMT2A
Trifluoroacetic Acid SCHEMBL2269036 0.78 ALDH1A1 (0.57) KDM4EALDH1A1HRH3KMT2A
Trifluoroacetic Acid SCHEMBL23853580 0.77 HRH3 (0.57) HRH3KMT2AKCNJ1
SCHEMBL1444172 0.77 NCF1 (0.56) NCF1KDM4EALDH1A1HDAC1HDAC8
SCHEMBL23696005 0.75 ALDH1A1 (0.62) NCF1KDM4EALDH1A1HRH3KMT2A
SCHEMBL27401886 0.74 HTR1A (0.52) NCF1KDM4EALDH1A1HDAC6HRH3
SCHEMBL1443492 0.73 NCF1 (0.51) NCF1KDM4EALDH1A1HDAC1HDAC8

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
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 NCF1 1517/4885KDM4E 2806/4885ALDH1A1 3283/4885
US-20110201589-A1 NEW BRADYKININ B1 ANTAGONISTS BDKRB1, BDKRB2, BRS3 NCF1 1606/4885KDM4E 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.