Trifluoromethanesulfonic Acid

Trifluoromethanesulfonic Acid

SCHEMBL4337524

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

nearest known ligand 0.48

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 9/20 0.48
CA2 P00918 9/20 0.48
CA12 O43570 5/20 0.48
CA9 Q16790 5/20 0.48
SCN9A Q15858 1/20 0.42
AXL P30530 2/20 0.41
CYP3A4 P08684 1/20 0.40
KDM4E B2RXH2 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ATM Q13315 1/20 0.38
PDPK1 O15530 1/20 0.38
CCNB2 O95067 1/20 0.38
PRKCB P05771 1/20 0.38
CDK1 P06493 1/20 0.38
LYN P07948 1/20 0.38
CCNB1 P14635 1/20 0.38
CCNA2 P20248 1/20 0.38
CDK2 P24941 1/20 0.38
GSK3B P49841 1/20 0.38
RPS6KA3 P51812 1/20 0.38

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 SCHEMBL4337526 0.93 CA12 (0.47) CA1CA2CA12CA9SCN9A
SCHEMBL3833950 0.91 CA12 (0.48) CA1CA2CA12CA9SCN9A
SCHEMBL13925821 0.78 SCN9A (0.51) CA1CA2CA12CA9SCN9A
SCHEMBL30688720 0.76 CA12 (0.49) CA1CA2CA12CA9SCN9A
SCHEMBL30345053 0.74 KDM4E (0.59) CYP3A4KDM4EL3MBTL1
SCHEMBL25717389 0.74 KDM4E (0.59) CYP3A4KDM4EL3MBTL1
SCHEMBL30336602 0.74 KDM4E (0.59) CYP3A4KDM4EL3MBTL1
SCHEMBL7336799 0.73 CA12 (0.56) CA1CA2CA12CA9SCN9A
SCHEMBL30599177 0.72 SCN9A (0.49) CA1CA2CA12CA9SCN9A
SCHEMBL26251803 0.72 SCN9A (0.49) CA1CA2CA12CA9SCN9A

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 9 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
US-10471161-B2 Vinylsulfone-based 18F-labeling compositions and methods and uses thereof UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2019-11-12 US disclosed
US-20160015838-A1 Vinylsulfone-based 18F-labeling Compositions and Methods and Uses Thereof UNIVERSITY OF SOUTHERN CALIFORNIA USC STEVENS (US) 2016-01-21 US disclosed
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 (3 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 CA1 470/4885CA2 1967/4885CA12 211/4885
US-20160015838-A1 Vinylsulfone-based 18F-labeling Compositions and Methods and Uses Thereof TST, VARS1, STS CA1 3847/4885CA2 4778/4885CA12 3587/4885
US-10471161-B2 Vinylsulfone-based 18F-labeling compositions and methods and uses thereof TST, VARS1, STS CA1 3847/4885CA2 4778/4885CA12 3587/4885

“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.