Trifluoromethanesulfonic Acid

Trifluoromethanesulfonic Acid

SCHEMBL6439196

COC(=O)c1cccc(C(=O)OC)[n+]1F.O=S(=O)([O-])C(F)(F)F

nearest known ligand 0.43

Full drug profile on Sugi Atlas →

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ACHE P22303 8/20 0.43
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
KCNH2 Q12809 9/20 0.38
GPR3 P46089 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
Trifluoromethanesulfonic Acid SCHEMBL30661306 0.89 ACHE (0.51) ACHECA12CA1CA2CA7
SCHEMBL19681458 0.85 CA1 (0.48) CA12CA1CA2CA7CA9
Trifluoromethanesulfonic Acid SCHEMBL6441504 0.78 POLB (0.40) ACHECA12CA1CA2CA7
Trifluoromethanesulfonic Acid SCHEMBL29657173 0.74 ACHE (0.40) ACHEKCNH2
Trifluoromethanesulfonic Acid SCHEMBL20495605 0.74 ACHE (0.40) ACHEKCNH2
Trifluoromethanesulfonic Acid SCHEMBL9686740 0.71 KCNH2 (0.44) ACHEKCNH2GPR3
Trifluoromethanesulfonic Acid SCHEMBL16346643 0.70 ACHE (0.55) ACHEKCNH2GPR3
SCHEMBL29867407 0.70 ACKR3 (0.39) ACHECA12CA1CA2CA7
SCHEMBL21200030 0.70 ACKR3 (0.39) ACHECA12CA1CA2CA7
Trifluoromethanesulfonic Acid SCHEMBL2996949 0.70 ACHE (0.42) ACHECA12CA1CA2CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1201627-B1 Ring fluorination of non-activated aromatic compounds AIR PROD & CHEM (US) 2005-12-14 EP disclosed
EP-1201628-B1 Electrophilic fluorination AIR PROD & CHEM (US) 2005-12-14 EP disclosed
US-6737525-B2 USEFUL IN FLUORINATING, PREFERABLY IN A NITROMETHANE SOLVENT, CARBANIONIC SPECIES AND/OR ACTIVATED AROMATIC COMPOUNDS AIR PRODUCTS AND CHEMICALS, INC. 2004-05-18 US disclosed
US-6635760-B2 Fluorinating a substrate selected from unsubstituted aromatic compounds and aromatic compounds having electron withdrawing substituent(s) comprises contacting substrate with a tri(halo or trifluoromethyl) substituted N-fluorotriazinium salt AIR PRODUCTS AND CHEMICALS, INC. 2003-10-21 US disclosed
US-20020123657-A1 Electrophilic fluorination AIR PRODUCTS AND CHEMICALS, INC. 2002-09-05 US disclosed
US-20020055662-A1 Ring fluorination of non-activated aromatic compounds AIR PRODUCTS AND CHEMICALS, INC. 2002-05-09 US disclosed
EP-1201627-A1 Ring fluorination of non-activated aromatic compounds AIR PRODUCTS AND CHEMICALS, INC. (US) 2002-05-02 EP disclosed
EP-1201628-A1 Electrophilic fluorination AIR PRODUCTS AND CHEMICALS, INC. (US) 2002-05-02 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 (2 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-20020123657-A1 Electrophilic fluorination PFAS, SRC, SFN ACHE 3260/4885CA12 1636/4885CA1 523/4885
US-20020055662-A1 Ring fluorination of non-activated aromatic compounds NAF1, NPM1, AFF1 ACHE 2997/4885CA12 1836/4885CA1 910/4885

“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.