SCHEMBL9935706

SCHEMBL9935706

CC=CCS(=O)(=O)[O-].CCCCn1cc[n+](C)c1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.52
HSP90AA1 P07900 2/20 0.52
KMT2A Q03164 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
APAF1 O14727 1/20 0.52
NPC1 O15118 1/20 0.52
PLA2G1B P04054 1/20 0.52
MAPT P10636 1/20 0.52
MAPK1 P28482 1/20 0.52
HTT P42858 1/20 0.52
RAB9A P51151 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
ATG4B Q9Y4P1 1/20 0.52
FDPS P14324 17/20 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
SCHEMBL5285827 0.86 MEN1 (0.65) MEN1HSP90AA1KMT2ASMN1; SMN2APAF1
SCHEMBL9934146 0.85 MEN1 (0.54) MEN1HSP90AA1KMT2ASMN1; SMN2APAF1
Sulfuric Acid SCHEMBL2993814 0.84 MEN1 (0.67) MEN1HSP90AA1KMT2ASMN1; SMN2APAF1
SCHEMBL9934519 0.83 MEN1 (0.51) MEN1HSP90AA1KMT2ASMN1; SMN2APAF1
SCHEMBL294165 0.83 MEN1 (0.65) MEN1HSP90AA1KMT2ASMN1; SMN2APAF1
SCHEMBL7742082 0.82 MEN1 (0.59) MEN1HSP90AA1KMT2ASMN1; SMN2APAF1
SCHEMBL2357881 0.82 MEN1 (0.59) MEN1HSP90AA1KMT2ASMN1; SMN2APAF1
Sulfuric Acid SCHEMBL582395 0.82 MEN1 (0.63) MEN1HSP90AA1KMT2ASMN1; SMN2APAF1
SCHEMBL9936318 0.80
SCHEMBL1716024 0.80 MEN1 (0.76) MEN1HSP90AA1KMT2ASMN1; SMN2APAF1

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 2 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
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 MEN1 4362/4885HSP90AA1 4153/4885KMT2A 4633/4885

“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.