SCHEMBL9934681

SCHEMBL9934681

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

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 4/20 0.42
SLC22A1 O15245 3/20 0.38
SLC22A2 O15244 1/20 0.33
ALDH1A1 P00352 2/20 0.31
TSHR P16473 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
HIF1A Q16665 1/20 0.31
HSD17B10 Q99714 1/20 0.31
ZDHHC20 Q5W0Z9 1/20 0.30
ZDHHC2 Q9UIJ5 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
SCHEMBL9935791 0.96 SLC22A1 (0.38) DNM1SLC22A1SLC22A2ALDH1A1TSHR
Tetrabuthylammonium SCHEMBL9935686 0.93 SLC22A1 (0.46) DNM1SLC22A1SLC22A2ALDH1A1TSHR
Tetrylammonium SCHEMBL9517155 0.85 TSHR (0.36) TSHR
Tributylmethylammonium SCHEMBL9936102 0.84 ENPP2 (0.33) DNM1SLC22A1ALDH1A1TSHRZDHHC20
SCHEMBL9934679 0.82 DNM1 (0.42) DNM1SLC22A1SLC22A2ALDH1A1TSHR
Pentadecane SCHEMBL27822400 0.81 TSHR (0.46) ALDH1A1TSHRTP53ZDHHC20ZDHHC2
SCHEMBL9935787 0.79 SLC22A1 (0.38) DNM1SLC22A1SLC22A2ALDH1A1TSHR
SCHEMBL9934338 0.77 DNM1 (0.52) DNM1TSHRSMN1; SMN2HSD17B10
SCHEMBL9935057 0.77 DNM1 (0.52) DNM1TSHRSMN1; SMN2HSD17B10
SCHEMBL16621462 0.77 EPHX2 (0.40) ALDH1A1TSHRTP53SMN1; SMN2HSD17B10

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 DNM1 3583/4885SLC22A1 1635/4885SLC22A2 1792/4885

“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.