Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL2237264

CN(Cc1ccc(CN2CCCC2)cc1)C(=O)c1coc(CN(C2CC2)S(=O)(=O)c2c(Cl)cc(Cl)cc2Cl)n1.O=C(O)C(F)(F)F

nearest known ligand 0.35

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.35
PKM P14618 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
EP300 Q09472 1/20 0.35
HIF1A Q16665 1/20 0.35
ELANE P08246 2/20 0.34
CXCR4 P61073 3/20 0.34
HDAC6 Q9UBN7 3/20 0.34
HDAC8 Q9BY41 2/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
APAF1 O14727 1/20 0.34
UBE2N P61088 1/20 0.34
RORC P51449 1/20 0.33
SLC2A1 P11166 1/20 0.33
OPRD1 P41143 1/20 0.33
CCR1 P32246 1/20 0.33
LSS P48449 1/20 0.33
HDAC11 Q96DB2 1/20 0.33

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
SCHEMBL12347119 0.96 EP300 (0.37) HTTPKMSMN1; SMN2EP300HIF1A
Trifluoroacetic Acid SCHEMBL2236586 0.89 HTT (0.36) HTTPKMSMN1; SMN2EP300HIF1A
Trifluoroacetic Acid SCHEMBL2240072 0.88 SLC2A1 (0.35) HTTPKMSMN1; SMN2EP300HIF1A
Trifluoroacetic Acid SCHEMBL2236581 0.85 RORC (0.40) HTTPKMSMN1; SMN2CXCR4KDM4E
SCHEMBL12347146 0.84 HTT (0.37) HTTPKMSMN1; SMN2EP300HIF1A
SCHEMBL12347130 0.83 EP300 (0.36) HTTPKMSMN1; SMN2EP300HIF1A
SCHEMBL2239968 0.82 EP300 (0.41) EP300HIF1AELANECXCR4KMT2A
SCHEMBL12347158 0.82 RORC (0.41) HTTPKMSMN1; SMN2EP300HIF1A
Trifluoroacetic Acid SCHEMBL2237503 0.79 BDKRB1 (0.40)
SCHEMBL2239439 0.77 EP300 (0.38) EP300HIF1AMCHR1

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 HTT 2939/4885PKM 1146/4885SMN1; SMN2 4510/4885
US-20110201589-A1 NEW BRADYKININ B1 ANTAGONISTS BDKRB1, BDKRB2, BRS3 HTT 3144/4885PKM 1318/4885SMN1; SMN2 4544/4885

“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.