SCHEMBL9935787

SCHEMBL9935787

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC22A1 O15245 3/20 0.38
DNM1 Q05193 4/20 0.38
BBOX1 O75936 2/20 0.35
SLC22A2 O15244 1/20 0.33
TSHR P16473 3/20 0.32
HIF1A Q16665 2/20 0.32
LMNA P02545 2/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
HTT P42858 1/20 0.32
KCNH2 Q12809 1/20 0.32
ALDH1A1 P00352 2/20 0.31
TP53 P04637 1/20 0.31
CYP3A4 P08684 1/20 0.31
ALOX15 P16050 1/20 0.31
ALOX12 P18054 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HSD17B10 Q99714 1/20 0.31
MEN1 O00255 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
SCHEMBL9934679 0.96 DNM1 (0.42) SLC22A1DNM1BBOX1SLC22A2TSHR
Tetrabuthylammonium SCHEMBL9935681 0.93 SLC22A1 (0.46) SLC22A1DNM1BBOX1SLC22A2TSHR
SCHEMBL9935909 0.89 SLC22A1 (0.38) SLC22A1BBOX1SLC22A2TSHRHIF1A
Tetrylammonium SCHEMBL9517151 0.85 TSHR (0.36) BBOX1TSHR
Tributylmethylammonium SCHEMBL9936098 0.84 BBOX1 (0.36) SLC22A1DNM1BBOX1TSHRLMNA
SCHEMBL9935791 0.82 SLC22A1 (0.38) SLC22A1DNM1SLC22A2TSHRHIF1A
SCHEMBL17967740 0.81 SLC22A1 (0.42) SLC22A1DNM1SLC22A2TSHRHIF1A
SCHEMBL9935604 0.81 BBOX1 (0.31) BBOX1
Sulfuric Acid SCHEMBL17102693 0.80 SLC22A1 (0.52) SLC22A1DNM1BBOX1SLC22A2TSHR
SCHEMBL9934681 0.79 DNM1 (0.42) SLC22A1DNM1SLC22A2TSHRHIF1A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 SLC22A1 1635/4885DNM1 3583/4885BBOX1 4837/4885

“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.