Trifluoromethanesulfonic Acid

Trifluoromethanesulfonic Acid

SCHEMBL4692564

O=S(=O)(O)C(F)(F)F.c1ccc2sc(Oc3ccc(CCC(NCCCc4nc[nH]n4)C4CC4)cc3)nc2c1

nearest known ligand 0.42

Full drug profile on Sugi Atlas →

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 19/20 0.42
EPHX2 P34913 2/20 0.42
KCNH2 Q12809 10/20 0.41
PPARG P37231 1/20 0.36
PPARA Q07869 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
SCHEMBL4688697 0.92 LTA4H (0.46) LTA4HEPHX2KCNH2
Trifluoromethanesulfonic Acid SCHEMBL4694774 0.82 LTA4H (0.43) LTA4HEPHX2KCNH2
SCHEMBL2169428 0.81 LTA4H (0.45) LTA4HEPHX2KCNH2
SCHEMBL2168838 0.81 LTA4H (0.44) LTA4HEPHX2KCNH2
Trifluoromethanesulfonic Acid SCHEMBL4692567 0.80 LTA4H (0.44) LTA4HEPHX2KCNH2
SCHEMBL2168640 0.79 LTA4H (0.47) LTA4HEPHX2KCNH2
SCHEMBL4689565 0.79 LTA4H (0.43) LTA4HEPHX2KCNH2
SCHEMBL2168672 0.78 LTA4H (0.55) LTA4HEPHX2KCNH2PPARGPPARA
SCHEMBL2167785 0.77 LTA4H (0.52) LTA4HEPHX2KCNH2
SCHEMBL2169174 0.76 LTA4H (0.49) LTA4HEPHX2KCNH2PPARGPPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1660492-B1 BENZIMIDAZOLE, BENZTHIAZOLE AND BENZOXAZOLE DERIVATIVES AND THEIR USE AS LTA4H MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2008-08-20 EP disclosed
US-20080194630-A1 Leukotriene A-4 hydrolase inhibitors; antiinflammatory agents; skin disorders; analgesics; stroke; anticancer agents; antiallergens; rhinitis;cystic fibrosis;sepsis JANSSEN PHARMACEUTICA N.V. (BE) 2008-08-14 US disclosed
WO-2005012297-A9 BENZIMIDAZOLE, BENZTHIAZOLE AND BENZOXAZOLE DERIVATIVES AND THEIR USE AS LTA4H MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2007-01-04 WO disclosed
US-20050043379-A1 LTA4H Modulators JANSSEN PHARMACEUTICA, N.V. (BE) 2005-02-24 US disclosed
US-20050043378-A1 Leukotriene hydrolases inhibitors; antiinflamamtory agents; inflamamtory bowel disorders; antihistamines; chronic obstructive pulmonary diseases; multiple sclerosis; antiarthritic agents JANSSEN PHARMACEUTICA, N.V. (BE) 2005-02-24 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-20080194630-A1 Leukotriene A-4 hydrolase inhibitors; antiinflammatory agents; skin disorders; analgesics; stroke; anticancer agents; antiallergens; rhinitis;cystic fibrosis;sepsis LTA4H, LTC4S, LTB4R LTA4H 1/4885EPHX2 191/4885KCNH2 2161/4885
US-20050043378-A1 Leukotriene hydrolases inhibitors; antiinflamamtory agents; inflamamtory bowel disorders; antihistamines; chronic obstructive pulmonary diseases; multiple sclerosis; antiarthritic agents LTA4H, LTC4S, LTB4R LTA4H 1/4885EPHX2 365/4885KCNH2 4064/4885
US-20050043379-A1 LTA4H Modulators LTA4H, LTB4R, LTB4R2 LTA4H 1/4885EPHX2 101/4885KCNH2 3429/4885

“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.