SCHEMBL9935843

SCHEMBL9935843

C=CCS(=O)(=O)[O-].C=CCn1cc[n+](CCCC)c1

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.33
MEN1 O00255 1/20 0.33
HSP90AA1 P07900 1/20 0.33
KMT2A Q03164 1/20 0.33
FDPS P14324 14/20 0.33
KDM4E B2RXH2 4/20 0.32
ALDH1A1 P00352 3/20 0.32
MAPT P10636 1/20 0.32
HTT P42858 1/20 0.32
RXFP1 Q9HBX9 2/20 0.31
BLM P54132 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
HPGD P15428 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
SCHEMBL9935920 0.91 FDPS (0.36) SMN1; SMN2MEN1HSP90AA1KMT2AFDPS
SCHEMBL9936382 0.90 FDPS (0.43) SMN1; SMN2MEN1HSP90AA1KMT2AFDPS
SCHEMBL9936156 0.87 FDPS (0.43) SMN1; SMN2MEN1HSP90AA1KMT2AFDPS
SCHEMBL9934785 0.87 FDPS (0.43) SMN1; SMN2MEN1HSP90AA1KMT2AFDPS
SCHEMBL9934331 0.87 FDPS (0.30) FDPS
SCHEMBL1931517 0.86 MEN1 (0.38) SMN1; SMN2MEN1HSP90AA1KMT2AFDPS
SCHEMBL9934576 0.86 FDPS (0.43) SMN1; SMN2MEN1HSP90AA1KMT2AFDPS
Iodide SCHEMBL15361406 0.85 SMN1; SMN2 (0.37) SMN1; SMN2MEN1HSP90AA1KMT2AFDPS
Water SCHEMBL15361621 0.85 MEN1 (0.37) SMN1; SMN2MEN1HSP90AA1KMT2AFDPS
Bromide SCHEMBL3791302 0.85 MEN1 (0.40) SMN1; SMN2MEN1HSP90AA1KMT2AMAPT

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 4362/4885HSP90AA1 4153/4885

“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.