SCHEMBL9934336

SCHEMBL9934336

C=CCS(=O)(=O)[O-].CCCCCCCC[N+](C)(C)C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 7/20 0.52
APAF1 O14727 1/20 0.48
HSP90AA1 P07900 1/20 0.48
RAD52 P43351 1/20 0.48
BBOX1 O75936 1/20 0.46
ENPP2 Q13822 4/20 0.44
LSS P48449 1/20 0.39
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
APEX1 P27695 3/20 0.38
NFKB1 P19838 2/20 0.38
KDM4E B2RXH2 2/20 0.38
ACHE P22303 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
PMP22 Q01453 2/20 0.38
LMNA P02545 1/20 0.38
HSD17B10 Q99714 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
TSHR P16473 1/20 0.38
RAB9A P51151 1/20 0.38

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
SCHEMBL9935055 1.00 DNM1 (0.52) DNM1APAF1HSP90AA1RAD52BBOX1
Vinylsulfonic Acid SCHEMBL5376237 0.84 DNM1 (0.58) DNM1APAF1HSP90AA1RAD52BBOX1
Cetrimonium SCHEMBL5380726 0.84 DNM1 (0.58) DNM1APAF1HSP90AA1RAD52BBOX1
Tetrabuthylammonium SCHEMBL9935681 0.84 SLC22A1 (0.46) DNM1BBOX1SMN1; SMN2HSD17B10TSHR
SCHEMBL17967740 0.83 SLC22A1 (0.42) DNM1LSSSMN1; SMN2HSD17B10TSHR
SCHEMBL331772 0.83 DNM1 (0.68) DNM1APAF1HSP90AA1RAD52BBOX1
Cetrimonium SCHEMBL331486 0.83 DNM1 (0.68) DNM1APAF1HSP90AA1RAD52BBOX1
SCHEMBL330640 0.83 DNM1 (0.68) DNM1APAF1HSP90AA1RAD52BBOX1
SCHEMBL9934338 0.83 DNM1 (0.52) DNM1APAF1HSP90AA1RAD52ENPP2
SCHEMBL9935057 0.83 DNM1 (0.52) DNM1APAF1HSP90AA1RAD52ENPP2

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 DNM1 3583/4885APAF1 1837/4885HSP90AA1 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.