SCHEMBL9935346

SCHEMBL9935346

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
ALDH1A1 P00352 2/20 0.36
LMNA P02545 1/20 0.36
HSD17B10 Q99714 1/20 0.36
PKM P14618 2/20 0.35
PABPC1 P11940 1/20 0.35
EIF4H Q15056 1/20 0.35
CTDSP1 Q9GZU7 1/20 0.35
MMP1 P03956 3/20 0.34
MMP13 P45452 3/20 0.34
MMP8 P22894 2/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
MMP2 P08253 1/20 0.34
MMP9 P14780 1/20 0.34
MAPT P10636 1/20 0.34
GAA P10253 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 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
SCHEMBL9934634 0.81 PKM (0.44) NPSR1HTTALDH1A1LMNAPKM
SCHEMBL9935884 0.79 MMP9 (0.39) NPSR1HTTALDH1A1LMNAHSD17B10
SCHEMBL9934828 0.79 HSP90AA1 (0.31) KMT2A
SCHEMBL9935722 0.78 FFAR4 (0.39) NPSR1ALDH1A1LMNAHSD17B10PKM
SCHEMBL9936252 0.76 PABPC1 (0.40) NPSR1HTTALDH1A1PKMPABPC1
SCHEMBL9935352 0.76 CA1 (0.48) NPSR1ALDH1A1LMNAHSD17B10CA1
SCHEMBL9935650 0.74 NPSR1 (0.36) NPSR1HTTALDH1A1LMNAHSD17B10
SCHEMBL9935647 0.74 NPSR1 (0.36) NPSR1HTTALDH1A1LMNAHSD17B10
SCHEMBL9935504 0.70
SCHEMBL9935173 0.68 HSP90AA1 (0.32) KMT2A

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 3354/4885ALDH1A1 3717/4885

“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.