SCHEMBL9935563

SCHEMBL9935563

C=CCS(=O)(=O)[O-].CCCn1cc[n+](C)c1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.45
MEN1 O00255 1/20 0.45
APAF1 O14727 1/20 0.45
NPC1 O15118 1/20 0.45
PLA2G1B P04054 1/20 0.45
HSP90AA1 P07900 1/20 0.45
MAPT P10636 1/20 0.45
MAPK1 P28482 1/20 0.45
HTT P42858 1/20 0.45
RAB9A P51151 1/20 0.45
KMT2A Q03164 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
ATG4B Q9Y4P1 1/20 0.45
FDPS P14324 4/20 0.37
LMNA P02545 1/20 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
SCHEMBL9934146 0.92 MEN1 (0.54) SMN1; SMN2MEN1APAF1NPC1PLA2G1B
SCHEMBL9934825 0.88 FDPS (0.38) SMN1; SMN2MEN1APAF1NPC1PLA2G1B
SCHEMBL9934092 0.85 FDPS (0.38) SMN1; SMN2MEN1APAF1NPC1PLA2G1B
SCHEMBL4266303 0.83 SMN1; SMN2 (0.54) SMN1; SMN2MEN1APAF1NPC1PLA2G1B
SCHEMBL9935642 0.82 FDPS (0.31) FDPS
SCHEMBL17351202 0.82 SMN1; SMN2 (0.53) SMN1; SMN2MEN1APAF1NPC1PLA2G1B
Sulfuric Acid SCHEMBL26110375 0.82 SMN1; SMN2 (0.53) SMN1; SMN2MEN1APAF1NPC1PLA2G1B
SCHEMBL14836884 0.79 SMN1; SMN2 (0.50) SMN1; SMN2MEN1APAF1NPC1PLA2G1B
SCHEMBL9935013 0.79 MEN1 (0.51) SMN1; SMN2MEN1APAF1NPC1PLA2G1B
Formic Acid SCHEMBL1094896 0.78 SMN1; SMN2 (0.56) SMN1; SMN2MEN1APAF1NPC1PLA2G1B

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 8 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 claimed
US-8546609-B2 Ionic liquid containing allylsulfonate anion WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2013-10-01 US claimed
EP-2474527-A1 IONIC LIQUID CONTAINING ALLYLSULFONATE ANION Wako Pure Chemical Industries, Ltd. (JP) 2012-07-11 EP claimed
US-20120157680-A1 IONIC LIQUID CONTAINING ALLYLSULFONATE ANION WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2012-06-21 US claimed
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 SMN1; SMN2 2527/4885MEN1 4362/4885APAF1 1837/4885

“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.