SCHEMBL9934335

SCHEMBL9934335

C=CCS(=O)(=O)[O-].CCCCn1cc[n+](C)c1C

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA1 P00915 5/20 0.38
CA2 P00918 5/20 0.38
EEF2K O00418 2/20 0.34
EEF2 P13639 2/20 0.34
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
PLK4 O00444 1/20 0.34
JAK2 O60674 1/20 0.34
EGFR P00533 1/20 0.34
TYK2 P29597 1/20 0.34
FLT3 P36888 1/20 0.34
BLM P54132 1/20 0.34
ITK Q08881 1/20 0.34
PIM2 Q9P1W9 1/20 0.34
ACHE P22303 2/20 0.32
ALDH1A1 P00352 1/20 0.31
POLB P06746 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
SCHEMBL9934566 0.87 ACHE (0.34) ACHE
Sulfuric Acid SCHEMBL3006216 0.86 KMT2A (0.40) CA1CA2EEF2KEEF2KMT2A
SCHEMBL3000997 0.85 KMT2A (0.40) CA1CA2EEF2KEEF2KMT2A
Sulfuric Acid SCHEMBL4247480 0.84 CA1 (0.41) CA1CA2EEF2KEEF2KMT2A
SCHEMBL2837397 0.81 CA1 (0.38) CA1CA2EEF2KEEF2KMT2A
SCHEMBL9934321 0.81 HDAC8 (0.34)
Formic Acid SCHEMBL19406572 0.81 KMT2A (0.40) CA1CA2EEF2KEEF2KMT2A
Sulfuric Acid SCHEMBL28897861 0.81 CA1 (0.43) CA1CA2EEF2KEEF2KMT2A
Trifluoromethanesulfonic Acid SCHEMBL707414 0.80 KCNH2 (0.43) CA1CA2EEF2KEEF2KMT2A
SCHEMBL294425 0.80 KMT2A (0.46) CA1CA2EEF2KEEF2KMT2A

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 CA1 2316/4885CA2 666/4885EEF2K 1111/4885

“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.