SCHEMBL9935647

SCHEMBL9935647

C/C=C/CS(=O)(=O)[O-].CC[n+]1ccc(OC)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.36
HTT P42858 1/20 0.36
PKM P14618 3/20 0.35
PABPC1 P11940 1/20 0.35
EIF4H Q15056 1/20 0.35
CTDSP1 Q9GZU7 1/20 0.35
ALDH1A1 P00352 3/20 0.32
MMP1 P03956 4/20 0.31
MMP13 P45452 4/20 0.31
MMP8 P22894 2/20 0.31
ACHE P22303 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
MMP2 P08253 1/20 0.31
MMP9 P14780 1/20 0.31
GAA P10253 1/20 0.31
LMNA P02545 2/20 0.31
TP53 P04637 1/20 0.31
CYP3A4 P08684 1/20 0.31
TSHR P16473 1/20 0.31

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
SCHEMBL9935650 1.00 NPSR1 (0.36) NPSR1HTTPKMPABPC1EIF4H
SCHEMBL9935722 0.84 FFAR4 (0.39) NPSR1PKMPABPC1EIF4HCTDSP1
SCHEMBL9935884 0.82 MMP9 (0.39) NPSR1HTTPKMPABPC1EIF4H
SCHEMBL9934634 0.81 PKM (0.44) NPSR1HTTPKMPABPC1EIF4H
SCHEMBL9936252 0.76 PABPC1 (0.40) NPSR1HTTPKMPABPC1EIF4H
SCHEMBL9935352 0.76 CA1 (0.48) NPSR1ALDH1A1ACHECA1CA2
SCHEMBL9935346 0.74 NPSR1 (0.36) NPSR1HTTPKMPABPC1EIF4H
SCHEMBL29797 0.68
Potassium Ion SCHEMBL868236 0.68
SCHEMBL1310390 0.68

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 NPSR1 1959/4885HTT 3354/4885PKM 4398/4885

“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.