Trifluoromethanesulfonic Acid

Trifluoromethanesulfonic Acid

SCHEMBL13719451

O=S(=O)(O)C(F)(F)F.O[C@@H](c1ccc(F)c(F)c1)C(F)(F)F

nearest known ligand 0.42

Full drug profile on Sugi Atlas →

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.42
CES1 P23141 2/20 0.42
NR1I2 O75469 1/20 0.39
EPAS1 Q99814 1/20 0.33
PTPN1 P18031 1/20 0.33
NR1H2 P55055 1/20 0.32
NR1H3 Q13133 1/20 0.32
HTR7 P34969 1/20 0.32
ADAM17 P78536 1/20 0.32
SOS1 Q07889 1/20 0.32
PDPK1 O15530 1/20 0.31
SLC22A12 Q96S37 1/20 0.31
DPP4 P27487 1/20 0.30
DPP9 Q86TI2 1/20 0.30
DPP7 Q9UHL4 1/20 0.30
MME P08473 1/20 0.30

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
SCHEMBL308893 0.88 CES2 (0.47) CES2CES1NR1I2HTR7ADAM17
Trifluoromethanesulfonic Acid SCHEMBL27525495 0.75 NR1I2 (0.49) CES2CES1NR1I2PTPN1
SCHEMBL13885099 0.73 SHBG (0.47) NR1I2
SCHEMBL8282339 0.72 ALDH1A1 (0.33) CES2CES1NR1I2HTR7
SCHEMBL19136180 0.72 FAAH (0.38) NR1I2
SCHEMBL25237882 0.72 PARP1 (0.33) CES2CES1NR1I2HTR7
SCHEMBL19137400 0.72 KDM1A (0.33) CES2CES1NR1I2HTR7
SCHEMBL13710896 0.72 SLC6A2 (0.43) DPP4DPP9DPP7
SCHEMBL13345093 0.72 HTR7 (0.42) CES2CES1NR1I2HTR7
SCHEMBL13710897 0.72 SCN8A (0.36) NR1I2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120289523-A1 PYRROLO [3,2-E] [1,2,4] TRIAZOLO [1,5-A] PYRIMIDINES DERIVATIVES AS INHIBITORS OF MICROGLIA ACTIVATION BTG INTERNATIONAL LIMITED (GB) 2012-11-15 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-20120289523-A1 PYRROLO [3,2-E] [1,2,4] TRIAZOLO [1,5-A] PYRIMIDINES DERIVATIVES AS INHIBITORS OF MICROGLIA ACTIVATION CX3CR1, CSF1R, PSEN1 CES2 299/4885CES1 332/4885NR1I2 166/4885

“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.