Trifluoromethanesulfonic Acid

Trifluoromethanesulfonic Acid

SCHEMBL3176306

O=S(=O)(O)C(F)(F)F.c1cnc2ncccc2c1

nearest known ligand 0.49

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.49
ALOX12 P18054 1/20 0.49
LMNA P02545 3/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
ALDH1A1 P00352 2/20 0.42
ACP1 P24666 1/20 0.41
PDE4A P27815 1/20 0.39
PDE4C Q08493 1/20 0.39
PDE4D Q08499 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
MAPT P10636 2/20 0.39
HTT P42858 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
HCAR2 Q8TDS4 1/20 0.39
MMP2 P08253 2/20 0.38
TSHR P16473 2/20 0.38
CHRM1 P11229 1/20 0.38
COMT P21964 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
Phenanthroline SCHEMBL30553904 0.83 KDM4E (0.61) KDM4EALOX12LMNAALDH1A1L3MBTL1
Quinoline SCHEMBL5260404 0.81 ALDH1A1 (0.61) KDM4EALOX12MEN1KMT2AALDH1A1
Phenanthroline SCHEMBL29226881 0.81 KDM4E (0.59) KDM4EALOX12LMNAMEN1KMT2A
Quinoline SCHEMBL28462227 0.80 ALDH1A1 (0.59) KDM4EALOX12MEN1KMT2AALDH1A1
Quinoline SCHEMBL28462226 0.80 ALDH1A1 (0.59) KDM4EALOX12MEN1KMT2AALDH1A1
Oxyquinoline SCHEMBL249778 0.79 KDM4E (0.81) KDM4EALOX12LMNAMEN1KMT2A
Trifluoroacetic Acid SCHEMBL2268493 0.78 KDM4E (0.55) KDM4ELMNAMEN1KMT2AALDH1A1
Naphthalene SCHEMBL7160995 0.77 ALOX12 (0.42) KDM4EALOX12LMNAALDH1A1L3MBTL1
Naphthalene SCHEMBL29233861 0.77 ALOX12 (0.42) KDM4EALOX12LMNAALDH1A1L3MBTL1
SCHEMBL169540 0.76 PDE4A (0.48) KDM4EALOX12LMNAMEN1KMT2A

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-7648984-B2 Antibacterial agents GLAXO GROUP LIMITED (GB) 2010-01-19 US disclosed
EP-1773343-A4 ANTIBACTERIAL AGENTS GLAXO GROUP LTD (GB) 2009-05-13 EP disclosed
US-20070203127-A1 Antibacterial Agents GLAXO GROUP LIMITED (GB) 2007-08-30 US disclosed
EP-1773343-A1 ANTIBACTERIAL AGENTS GLAXO GROUP LIMITED (GB) 2007-04-18 EP disclosed
EP-1578743-A4 ANTIBACTERIAL AGENTS GLAXO GROUP LTD (GB) 2006-11-29 EP disclosed
US-20060041123-A1 Antibacterial agents GLAXO GROUP LIMITED (GB) 2006-02-23 US disclosed
WO-2006017326-A1 ANTIBACTERIAL AGENTS GLAXO GROUP LIMITED (GB) 2006-02-16 WO disclosed
EP-1578743-A2 ANTIBACTERIAL AGENTS GLAXO GROUP LIMITED (GB) 2005-09-28 EP disclosed
WO-2004058144-A2 ANTIBACTERIAL AGENTS GLAXO GROUP LIMITED (GB) 2004-07-15 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 (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-20060041123-A1 Antibacterial agents NQO2, NRDC, IFNG KDM4E 4544/4885ALOX12 4152/4885LMNA 2488/4885
US-20070203127-A1 Antibacterial Agents NQO2, NQO1, NDUFV2 KDM4E 4436/4885ALOX12 2870/4885LMNA 2018/4885

“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.