SCHEMBL9935506

SCHEMBL9935506

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

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FDPS P14324 4/20 0.38
SMN1; SMN2 Q16637 2/20 0.36
MEN1 O00255 1/20 0.36
APAF1 O14727 1/20 0.36
NPC1 O15118 1/20 0.36
PLA2G1B P04054 1/20 0.36
HSP90AA1 P07900 1/20 0.36
MAPT P10636 1/20 0.36
MAPK1 P28482 1/20 0.36
HTT P42858 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
ATG4B Q9Y4P1 1/20 0.36
LMNA P02545 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
SCHEMBL9935262 0.86 MEN1 (0.52) FDPSSMN1; SMN2MEN1APAF1NPC1
SCHEMBL411942 0.84 SMN1; SMN2 (0.44) FDPSSMN1; SMN2MEN1APAF1NPC1
Sulfuric Acid SCHEMBL479201 0.82 FDPS (0.44) FDPSSMN1; SMN2MEN1APAF1NPC1
Sulfuric Acid SCHEMBL2325415 0.82 SMN1; SMN2 (0.46) FDPSSMN1; SMN2MEN1APAF1NPC1
SCHEMBL9934979 0.82 FDPS (0.31) FDPS
Acetone SCHEMBL15135138 0.81 FDPS (0.41) FDPSSMN1; SMN2MEN1APAF1NPC1
SCHEMBL295578 0.81 SMN1; SMN2 (0.44) FDPSSMN1; SMN2MEN1APAF1NPC1
Sulfuric Acid SCHEMBL1828230 0.81 SMN1; SMN2 (0.44) FDPSSMN1; SMN2MEN1APAF1NPC1
Sulfuric Acid SCHEMBL4443958 0.80 FDPS (0.42) FDPSSMN1; SMN2MEN1APAF1NPC1
SCHEMBL29720234 0.80 SMN1; SMN2 (0.41) FDPSSMN1; SMN2MEN1APAF1NPC1

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 4 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 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 FDPS 4250/4885SMN1; SMN2 2527/4885MEN1 4362/4885

“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.