SCHEMBL17162136

SCHEMBL17162136

CCCC[n+]1ccn(C)c1C.O=S(=O)([O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)F

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
KCNH2 Q12809 6/20 0.32
ACHE P22303 2/20 0.30

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
SCHEMBL17162139 0.93
SCHEMBL17162135 0.89
Trifluoromethanesulfonic Acid SCHEMBL707413 0.87 KCNH2 (0.41) CA1CA2KCNH2ACHE
SCHEMBL21986592 0.86
Sulfuric Acid SCHEMBL4247474 0.83 CA1 (0.44) CA1CA2
Trifluoromethanesulfonic Acid SCHEMBL1330197 0.82 CA1 (0.47) CA1CA2KCNH2ACHE
Trifluoromethanesulfonic Acid SCHEMBL711975 0.82 CA1 (0.47) CA1CA2KCNH2ACHE
Trifluoromethanesulfonic Acid SCHEMBL1329120 0.82 CA1 (0.47) CA1CA2KCNH2ACHE
Trifluoromethanesulfonic Acid SCHEMBL1329985 0.82 CA1 (0.47) CA1CA2KCNH2ACHE
SCHEMBL358138 0.81 CA1 (0.36) CA1CA2KCNH2ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150291515-A1 SALTS CONTAINING TRIHYDROPERFLUOROALKOXYBUTANESULFONATE OR TRIHYDROPERFLUOROALKOXYPROPANESULFONATE ANION MERCK PATENT GMBH (DE) 2015-10-15 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 (1 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-20150291515-A1 SALTS CONTAINING TRIHYDROPERFLUOROALKOXYBUTANESULFONATE OR TRIHYDROPERFLUOROALKOXYPROPANESULFONATE ANION STS, ARSA, TST CA1 651/4885CA2 446/4885KCNH2 344/4885

“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.