SCHEMBL9935091

SCHEMBL9935091

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

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.32
TSHR P16473 4/20 0.32
ALDH1A1 P00352 1/20 0.32
SMN1; SMN2 Q16637 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
SCHEMBL2297458 0.87 DNM1 (0.41) TSHRALDH1A1SMN1; SMN2
SCHEMBL9935019 0.84 DNM1 (0.34) TSHRALDH1A1SMN1; SMN2
SCHEMBL9934989 0.80
SCHEMBL9934713 0.80
Sulfuric Acid SCHEMBL29270371 0.80 TP53 (0.41) TP53TSHRSMN1; SMN2
SCHEMBL9934047 0.79
SCHEMBL9934324 0.78
SCHEMBL1293511 0.78 TP53 (0.40) TP53TSHRSMN1; SMN2
Tetrabuthylammonium SCHEMBL9935681 0.76 SLC22A1 (0.46) TP53TSHRALDH1A1SMN1; SMN2
Butyltriphenylphosphonium SCHEMBL2295130 0.75 HIF1A (0.39) TSHRALDH1A1

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 TP53 3461/4885TSHR 2384/4885ALDH1A1 3717/4885

“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.