Trifluoromethanesulfonic Acid

Trifluoromethanesulfonic Acid

SCHEMBL404139

O=C(O)c1ccc([S+](c2ccccc2)c2ccccc2)cc1C(F)(F)F.O=S(=O)([O-])C(F)(F)F

nearest known ligand 0.40

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 1/20 0.40
GPR27 Q9NS67 1/20 0.40
CES2 O00748 1/20 0.39
ALDH1A1 P00352 4/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
HPGD P15428 3/20 0.37
KDM4E B2RXH2 2/20 0.37
HSD17B10 Q99714 2/20 0.37
ACLY P53396 2/20 0.37
GRIK1 P39086 1/20 0.36
GAA P10253 1/20 0.36
AKR1C3 P42330 1/20 0.36
AKR1C2 P52895 1/20 0.36
BCL2L1 Q07817 1/20 0.36
MCL1 Q07820 1/20 0.36
USP2 O75604 1/20 0.36
CYP2C19 P33261 1/20 0.36
FLT1 P17948 1/20 0.36
FLT4 P35916 1/20 0.36

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
SCHEMBL3348800 0.90 CES2 (0.46) CES2ALDH1A1MEN1KMT2AHPGD
SCHEMBL407587 0.82 CES2 (0.37) AVPR2GPR27CES2ALDH1A1MEN1
Trifluoromethanesulfonic Acid SCHEMBL6118365 0.81 GPR3 (0.48) GPR3
Trifluoromethanesulfonic Acid SCHEMBL404697 0.80 TSHR (0.41) CES2ALDH1A1MEN1KMT2AHPGD
Trifluoromethanesulfonic Acid SCHEMBL37032 0.79 GPR3 (0.50) ALDH1A1GPR3
Trifluoromethanesulfonic Acid SCHEMBL31155703 0.79 GPR3 (0.50) ALDH1A1GPR3
Trifluoromethanesulfonic Acid SCHEMBL10008137 0.77 GPR3 (0.48) GPR3
Trifluoromethanesulfonic Acid SCHEMBL3253135 0.77 PTPN1 (0.46) CES2ALDH1A1MEN1KMT2AGAA
Trifluoromethanesulfonic Acid SCHEMBL1261243 0.76 ALDH1A1 (0.43) ALDH1A1GPR3
Trifluoromethanesulfonic Acid SCHEMBL548279 0.76 GPR3 (0.42) CES2GPR3

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-20120020881-A1 Triaryl-sulphonium compounds, kit and methods for labeling positron emitting isotopes BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2012-01-26 US disclosed
EP-2376449-A1 TRIARYL-SULPHONIUM COMPOUNDS, KIT AND METHODS FOR LABELING POSITRON EMITTING ISOTOPES Bayer Pharma Aktiengesellschaft (DE) 2011-10-19 EP 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-20120020881-A1 Triaryl-sulphonium compounds, kit and methods for labeling positron emitting isotopes KIT, STS, TST AVPR2 4360/4885GPR27 1722/4885CES2 853/4885

“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.