Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL2238735

O=C(O)C(F)(F)F.OC1(C=Cc2ccncc2)CCNCC1

nearest known ligand 0.41

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JUN P05412 1/20 0.41
NFKB1 P19838 1/20 0.41
KDM1A O60341 2/20 0.36
HRH4 Q9H3N8 3/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
HPGD P15428 1/20 0.33
HRH3 Q9Y5N1 2/20 0.32
MAOB P27338 2/20 0.32
ALDH1A1 P00352 2/20 0.32
MAPT P10636 2/20 0.32
CYP1A2 P05177 2/20 0.32
CYP1A1 P04798 2/20 0.32
CYP1B1 Q16678 2/20 0.32
SNCA P37840 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
KDM4E B2RXH2 1/20 0.31
PKM P14618 1/20 0.31
KMT2A Q03164 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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 SCHEMBL2238726 1.00 JUN (0.41) JUNNFKB1KDM1AHRH4HDAC1
SCHEMBL2238891 0.87 JUN (0.43) JUNNFKB1KDM1AHDAC1HDAC6
SCHEMBL2238896 0.87 JUN (0.43) JUNNFKB1KDM1AHDAC1HDAC6
Trifluoroacetic Acid SCHEMBL2238189 0.85 MAPT (0.46) JUNNFKB1ALDH1A1MAPTCYP1A2
Trifluoroacetic Acid SCHEMBL2238197 0.85 MAPT (0.46) JUNNFKB1ALDH1A1MAPTCYP1A2
SCHEMBL2238730 0.77 JUN (0.39) JUNNFKB1KDM1AHDAC1HDAC6
SCHEMBL2238732 0.77 JUN (0.39) JUNNFKB1KDM1AHDAC1HDAC6
SCHEMBL5236707 0.75 OPRM1 (0.42) HDAC1HDAC6MAOBALDH1A1MAPT
SCHEMBL5236717 0.75 OPRM1 (0.42) HDAC1HDAC6MAOBALDH1A1MAPT
SCHEMBL1934180 0.72 JUN (0.41) JUNNFKB1KDM1AHDAC1HDAC6

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 JUN 2425/4885NFKB1 306/4885KDM1A 1164/4885
US-20110201589-A1 NEW BRADYKININ B1 ANTAGONISTS BDKRB1, BDKRB2, BRS3 JUN 2549/4885NFKB1 400/4885KDM1A 1349/4885

“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.