Trifluoromethanesulfonic Acid

Trifluoromethanesulfonic Acid

SCHEMBL4337526

CC(C)(C)OC(=O)NCCCOc1cccnc1[N+](C)(C)C.O=S(=O)(O)C(F)(F)F

nearest known ligand 0.47

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 5/20 0.47
CA1 P00915 5/20 0.47
CA2 P00918 5/20 0.47
CA9 Q16790 5/20 0.47
CYP3A4 P08684 2/20 0.42
SCN9A Q15858 1/20 0.42
AXL P30530 2/20 0.41
PDPK1 O15530 1/20 0.41
CCNB2 O95067 1/20 0.41
PRKCB P05771 1/20 0.41
CDK1 P06493 1/20 0.41
LYN P07948 1/20 0.41
CCNB1 P14635 1/20 0.41
CCNA2 P20248 1/20 0.41
CDK2 P24941 1/20 0.41
GSK3B P49841 1/20 0.41
RPS6KA3 P51812 1/20 0.41
CCNA1 P78396 1/20 0.41
CCNB3 Q8WWL7 1/20 0.41
DRD2 P14416 3/20 0.40

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
Trifluoromethanesulfonic Acid SCHEMBL4337524 0.93 CA1 (0.48) CA12CA1CA2CA9CYP3A4
SCHEMBL3833950 0.92 CA12 (0.48) CA12CA1CA2CA9CYP3A4
SCHEMBL13925821 0.79 SCN9A (0.51) CA12CA1CA2CA9CYP3A4
Trifluoromethanesulfonic Acid SCHEMBL6047028 0.79 LTA4H (0.35)
SCHEMBL30688720 0.77 CA12 (0.49) CA12CA1CA2CA9CYP3A4
SCHEMBL30345053 0.75 KDM4E (0.59) CYP3A4KDM4EL3MBTL1CYP2D6CYP2C19
SCHEMBL30336602 0.75 KDM4E (0.59) CYP3A4KDM4EL3MBTL1CYP2D6CYP2C19
SCHEMBL25717389 0.75 KDM4E (0.59) CYP3A4KDM4EL3MBTL1CYP2D6CYP2C19
SCHEMBL7336799 0.74 CA12 (0.56) CA12CA1CA2CA9SCN9A
SCHEMBL30599177 0.73 SCN9A (0.49) CA12CA1CA2CA9CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050249662-A1 Marked maleimide compounds, method for preparing same and use thereof for marking macromolecules COMMISSARIAT A L'ENERGIE (FR) 2005-11-10 US claimed
EP-1517903-A2 MARKED MALEIMIDE COMPOUNDS, METHOD FOR PREPARING SAME AND USE THEREOF FOR MARKING MACROMOLECULES COMMISSARIAT A L'ENERGIE ATOMIQUE (FR) 2005-03-30 EP claimed
WO-2004002984-A2 MARKED MALEIMIDE COMPOUNDS, METHOD FOR PREPARING SAME AND USE THEREOF FOR MARKING MACROMOLECULES COMMISSARIAT A L'ENERGIE ATOMIQUE (FR) 2004-01-08 WO claimed
WO-2009033876-A1 APTAMERS LABELED WITH 18F BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-03-19 WO disclosed
EP-2036981-A1 Aptamers labeled with 18F Bayer Schering Pharma Aktiengesellschaft (DE) 2009-03-18 EP disclosed
US-7456202-B2 Marked maleimide compounds, method for preparing same and use thereof for marking macromolecules COMMISSARIAT A L'ENERGIE ATOMIQUE (FR) 2008-11-25 US disclosed
US-20050249662-A1 Marked maleimide compounds, method for preparing same and use thereof for marking macromolecules COMMISSARIAT A L'ENERGIE (FR) 2005-11-10 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-20050249662-A1 Marked maleimide compounds, method for preparing same and use thereof for marking macromolecules CRBN, NR2E3, NR2C2 CA12 211/4885CA1 470/4885CA2 1967/4885

“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.