Trifluoromethanesulfonic Acid

Trifluoromethanesulfonic Acid

SCHEMBL6082447

COc1cc(Cl)c(-c2cc[nH]c(=O)c2[N+](=O)[O-])cc1F.O=S(=O)(O)C(F)(F)F

nearest known ligand 0.34

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN8A Q9UQD0 4/20 0.34
SCN10A Q9Y5Y9 4/20 0.34
PTGS2 P35354 4/20 0.33
PTGS1 P23219 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
GRIN2D O15399 2/20 0.32
GRIN3B O60391 2/20 0.32
GRIN1 Q05586 2/20 0.32
GRIN2A Q12879 2/20 0.32
GRIN2B Q13224 2/20 0.32
GRIN2C Q14957 2/20 0.32
GRIN3A Q8TCU5 2/20 0.32
KDM4E B2RXH2 1/20 0.32
MAPT P10636 1/20 0.32
BLM P54132 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
KMT2A Q03164 2/20 0.31
MEN1 O00255 1/20 0.31
GAA P10253 1/20 0.31
CTDSP1 Q9GZU7 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
SCHEMBL6083129 0.91 GRIN2D (0.38) SCN8ASCN10APTGS2PTGS1SMN1; SMN2
SCHEMBL6082365 0.79 GRIN2D (0.38) PTGS2PTGS1SMN1; SMN2GRIN2DGRIN3B
SCHEMBL6082349 0.79 GRIN2D (0.38) SMN1; SMN2GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL6082451 0.74 PTGS2 (0.33) PTGS2PTGS1SMN1; SMN2MAPTKMT2A
SCHEMBL6082325 0.73 PTGS2 (0.34) PTGS2PTGS1GRIN2DGRIN3BGRIN1
SCHEMBL6082164 0.72 CCNT1 (0.36) PTGS2PTGS1KDM4EKMT2AMEN1
SCHEMBL6082332 0.72 GRIN2D (0.38) SMN1; SMN2GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL6083149 0.72 MAPT (0.46) SMN1; SMN2GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL6083242 0.69 ABCC8 (0.42) TDP1KMT2AMEN1
SCHEMBL6081876 0.67 TSHR (0.44) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B

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-7067658-B2 Pyridino and pyrimidino pyrazinones BRISTOL-MYERS SQUIBB COMPANY (US) 2006-06-27 US disclosed
US-20040082784-A1 Pyridino and pyrimidino pyrazinones BRISTOL-MYERS SQUIBB PHARMA COMPANY 2004-04-29 US disclosed
WO-2004031189-A1 PYRIDINO AND PYRIMIDINO PYRAZINONES FOR TREATMENT OF ANXIETY AND DEPRESSION BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2004-04-15 WO 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-20040082784-A1 Pyridino and pyrimidino pyrazinones CRHR1, CRHR2, CRH SCN8A 4083/4885SCN10A 4316/4885PTGS2 1094/4885

“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.