Trifluoromethanesulfonic Acid

Trifluoromethanesulfonic Acid

SCHEMBL4894043

CS[N+](C)(C)Cc1ccc(F)cc1.O=S(=O)([O-])C(F)(F)F

nearest known ligand 0.37

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 3/20 0.37
BCHE P06276 1/20 0.37
EGFR P00533 5/20 0.35
ERBB2 P04626 5/20 0.35
PSMD14 O00487 1/20 0.35
HSP90AA1 P07900 1/20 0.35
MMP2 P08253 1/20 0.35
MC4R P32245 1/20 0.35
RAD52 P43351 1/20 0.35
ALDH1A1 P00352 2/20 0.34
MAPK1 P28482 1/20 0.34
FFAR1 O14842 1/20 0.34
FFAR4 Q5NUL3 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
HSD11B1 P28845 1/20 0.32
GPR3 P46089 1/20 0.32
TSHR P16473 1/20 0.32
CYP1A2 P05177 1/20 0.32
POLB P06746 1/20 0.32
CYP2D6 P10635 1/20 0.32

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 SCHEMBL29720335 0.84 EGFR (0.41) ACHEBCHEEGFRERBB2PSMD14
SCHEMBL2779536 0.83 PSMD14 (0.44) PSMD14HSP90AA1MMP2MC4RRAD52
Iodide SCHEMBL2782130 0.82 PSMD14 (0.43) PSMD14HSP90AA1MMP2MC4RRAD52
Trifluoromethanesulfonic Acid SCHEMBL29720434 0.71 BCHE (0.44) ACHEBCHEEGFRERBB2ALDH1A1
Trifluoromethanesulfonic Acid SCHEMBL29720286 0.70 ACHE (0.47) ACHEBCHESMN1; SMN2GPR3CA1
Trifluoromethanesulfonic Acid SCHEMBL29720389 0.70 CA1 (0.42) ACHEBCHEEGFRERBB2ALDH1A1
Trifluoromethanesulfonic Acid SCHEMBL30851370 0.69 KDM4E (0.44) ACHEALDH1A1MAPK1SMN1; SMN2GPR3
Trifluoromethanesulfonic Acid SCHEMBL1130292 0.69 KDM4E (0.59) ACHEBCHEALDH1A1GPR3CYP1A2
Trifluoromethanesulfonic Acid SCHEMBL29720379 0.69 ALDH1A1 (0.46) ACHEBCHEALDH1A1SMN1; SMN2POLB
Trifluoromethanesulfonic Acid SCHEMBL1455736 0.68 PKM (0.46) ACHEBCHEEGFRERBB2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1436249-B1 MUSCARINIC AGONISTS LILLY CO ELI (US) 2013-11-06 EP disclosed
EP-1608617-B1 MUSCARINIC AGONISTS LILLY CO ELI (US) 2013-01-09 EP disclosed
US-7378447-B2 Muscarinic agonists ELI LILLY AND COMPANY (US) 2008-05-27 US disclosed
US-7326731-B2 Muscarinic agonists ELI LILLY AND COMPANY (US) 2008-02-05 US disclosed
US-20060178438-A1 Muscarinic agonists ELI LILLY AND COMPANY (IN) 2006-08-10 US disclosed
US-20060154922-A1 Muscarinic agonists ELILILLY AND COMPANY (US) 2006-07-13 US disclosed
EP-1608619-A1 MUSCARINIC AGONISTS ELI LILLY AND COMPANY (US) 2005-12-28 EP disclosed
EP-1608617-A1 MUSCARINIC AGONISTS ELI LILLY AND COMPANY (US) 2005-12-28 EP disclosed
CN-1556788-A Muscarinic agonists 2004-12-22 CN disclosed
US-20040242584-A1 exemplified by Biphenyl-4-carboxylic acid (R)-(6-(1-((4-fluorobenzyl)methylamino)ethylideneamino) 2(R)-hydroxyindan-1-yl)amide; treating cognitive impairment associated with schizophrenia or Alzheimer's disease ELI LILLY AND COMPANY 2004-12-02 US disclosed
WO-2004094363-A1 MUSCARINIC AGONISTS ELI LILLY AND COMPANY (US) 2004-11-04 WO disclosed
WO-2004094382-A1 MUSCARINIC AGONISTS ELI LILLY AND COMPANY (US) 2004-11-04 WO disclosed
EP-1436249-A2 MUSCARINIC AGONISTS ELI LILLY AND COMPANY (US) 2004-07-14 EP disclosed
WO-2003027061-A2 MUSCARINIC AGONISTS ELI LILLY AND COMPANY (US) 2003-04-03 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 (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-20060154922-A1 Muscarinic agonists CHRM3, CHRM1, CHRM5 ACHE 80/4885BCHE 432/4885EGFR 1229/4885
US-20060178438-A1 Muscarinic agonists CHRM3, CHRM1, CHRM5 ACHE 80/4885BCHE 432/4885EGFR 1229/4885
US-20040242584-A1 exemplified by Biphenyl-4-carboxylic acid (R)-(6-(1-((4-fluorobenzyl)methylamino)ethylideneamino) 2(R)-hydroxyindan-1-yl)amide; treating cognitive impairment associated with schizophrenia or Alzheimer's disease CHRM1, CHRM2, CHRM4 ACHE 89/4885BCHE 129/4885EGFR 572/4885

“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.