Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL7846826

CCOC(=O)c1cn(C2CC2)c2c(F)c(N3CC4CCOC4(CN)C3)ncc2c1=O.O=C(O)C(F)(F)F

nearest known ligand 0.47

Full drug profile on Sugi Atlas →

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.40
KCNH2 Q12809 5/20 0.39
TOP2A P11388 5/20 0.33
TOP2B Q02880 5/20 0.33
KDM4E B2RXH2 2/20 0.33
HPGD P15428 2/20 0.33
ALDH1A1 P00352 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TSHR P16473 1/20 0.32
CASP1 P29466 1/20 0.32
CHRM2 P08172 1/20 0.31
DRD1 P21728 1/20 0.31
DPP4 P27487 1/20 0.31
CYP2C19 P33261 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 SCHEMBL7495618 0.92 KCNH2 (0.35) ADRB2KCNH2TOP2ATOP2B
Trifluoroacetic Acid SCHEMBL7844915 0.87 KCNH2 (0.49) ADRB2KCNH2TOP2ATOP2BKDM4E
Hydrochloric Acid SCHEMBL7842261 0.87 KCNH2 (0.43) KCNH2TOP2ATOP2BALDH1A1CHRM2
SCHEMBL7843567 0.85 ADRB2 (0.40) ADRB2KCNH2TOP2ATOP2BKDM4E
Hydrochloric Acid SCHEMBL7502049 0.83 KCNH2 (0.34) KCNH2TOP2ATOP2B
Trifluoroacetic Acid SCHEMBL7842190 0.80 KCNH2 (0.44) ADRB2KCNH2TOP2ATOP2BKDM4E
Trifluoroacetic Acid SCHEMBL7844276 0.79 KCNH2 (0.43) ADRB2KCNH2TOP2ATOP2BKDM4E
SCHEMBL7847772 0.78 KCNH2 (0.48) ADRB2KCNH2TOP2ATOP2BKDM4E
SCHEMBL7502612 0.77 ADRB2 (0.33) ADRB2
Trifluoroacetic Acid SCHEMBL7847239 0.77 KCNH2 (0.40) KCNH2TOP2ATOP2BKDM4EALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20010036941-A1 Use of 7-(1-aminomethyl-2-oxa-7-aza-bicyclo[3.3.0]oct-7-yl)-quinolonecarboxylic acid and -naphthyridonecarboxylic acid derivatives for the therapy of Helicobacter pylori infections and associated gastroduodenal disorders PETERSEN UWE (DE) 2001-11-01 US disclosed
US-6288081-B1 Use of 7-(1-aminomethyl-2-oxa-7-aza-bicyclo[3.3.0]oct-7-yl)-quinolone carboxylic acid and naphthyridone carboxylic acid derivatives for treating Helicobacter pylori infections and the gastroduodenal diseases associated therewith BAYER AKTIENGESELLSCHAFT (DE) 2001-09-11 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 (1 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-20010036941-A1 Use of 7-(1-aminomethyl-2-oxa-7-aza-bicyclo[3.3.0]oct-7-yl)-quinolonecarboxylic acid and -naphthyridonecarboxylic acid derivatives for the therapy of Helicobacter pylori infections and associated gastroduodenal disorders OXER1, AOC3, PAM ADRB2 2223/4885KCNH2 3936/4885TOP2A 156/4885

“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.