SCHEMBL9934566

SCHEMBL9934566

C=CCS(=O)(=O)[O-].CCn1cc[n+](C)c1C

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.34
LMNA P02545 1/20 0.33
HPGD P15428 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL9934335 0.87 CA1 (0.38) ACHE
SCHEMBL1617829 0.86 ACHE (0.40) ACHELMNAHPGDHTTSMN1; SMN2
Sulfuric Acid SCHEMBL2993992 0.85 ACHE (0.41) ACHELMNAHPGDHTTSMN1; SMN2
SCHEMBL3003425 0.83 ACHE (0.40) ACHELMNAHPGDHTTSMN1; SMN2
SCHEMBL9934321 0.82 HDAC8 (0.34) HTT
Sulfuric Acid SCHEMBL4245939 0.82 ACHE (0.39) ACHELMNAHPGDHTTSMN1; SMN2
SCHEMBL2833385 0.79 ACHE (0.40) ACHELMNAHPGDHTTSMN1; SMN2
Trifluoromethanesulfonic Acid SCHEMBL1330268 0.79 ACHE (0.40) ACHELMNAHPGDHTTSMN1; SMN2
Sulfuric Acid SCHEMBL28771900 0.78 ACHE (0.41) ACHELMNAHPGDHTTSMN1; SMN2
SCHEMBL294564 0.78

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2474527-B1 IONIC LIQUID CONTAINING ALLYLSULFONATE ANION WAKO PURE CHEM IND LTD (JP) 2017-01-25 EP disclosed
US-8546609-B2 Ionic liquid containing allylsulfonate anion WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2013-10-01 US disclosed
EP-2474527-A1 IONIC LIQUID CONTAINING ALLYLSULFONATE ANION Wako Pure Chemical Industries, Ltd. (JP) 2012-07-11 EP disclosed
US-20120157680-A1 IONIC LIQUID CONTAINING ALLYLSULFONATE ANION WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2012-06-21 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-20120157680-A1 IONIC LIQUID CONTAINING ALLYLSULFONATE ANION ATXN2L, ARL1, INPPL1 ACHE 4640/4885LMNA 3421/4885HPGD 4774/4885

“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.