SCHEMBL9934334

SCHEMBL9934334

C=CCS(=O)(=O)[O-].CCCC[n+]1ccn(C)c1C

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.37
CA2 P00918 3/20 0.37
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
RXFP1 Q9HBX9 1/20 0.30
MEN1 O00255 1/20 0.30
EEF2K O00418 1/20 0.30
PLK4 O00444 1/20 0.30
JAK2 O60674 1/20 0.30
EGFR P00533 1/20 0.30
EEF2 P13639 1/20 0.30
TYK2 P29597 1/20 0.30
FLT3 P36888 1/20 0.30
BLM P54132 1/20 0.30
KMT2A Q03164 1/20 0.30
ITK Q08881 1/20 0.30
PIM2 Q9P1W9 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
SCHEMBL9934567 0.88
SCHEMBL9935102 0.88
Sulfuric Acid SCHEMBL4247474 0.86 CA1 (0.44) CA1CA2KDM4EALDH1A1RXFP1
Sulfuric Acid SCHEMBL21195055 0.84 CA1 (0.43) CA1CA2KDM4EALDH1A1RXFP1
SCHEMBL4247119 0.84 CA1 (0.43) CA1CA2KDM4EALDH1A1RXFP1
Sulfuric Acid SCHEMBL21195056 0.83 CA1 (0.46) CA1CA2KDM4EALDH1A1RXFP1
SCHEMBL28771540 0.81 CA1 (0.40) CA1CA2KDM4EALDH1A1RXFP1
Formic Acid SCHEMBL19406571 0.80 CA1 (0.44) CA1CA2MEN1EEF2KPLK4
Trifluoromethanesulfonic Acid SCHEMBL707413 0.80 KCNH2 (0.41) CA1CA2MEN1EEF2KPLK4
SCHEMBL294424 0.80 CA1 (0.51) CA1CA2KDM4EALDH1A1MEN1

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 666/4885KDM4E 4681/4885

“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.