SCHEMBL9936378

SCHEMBL9936378

CC(C)=CCS(=O)(=O)[O-].CC[N+]1(C)CCCCC1

nearest known ligand 0.47

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.47
TSHR P16473 1/20 0.35
CTDSP1 Q9GZU7 1/20 0.35
KDM4E B2RXH2 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
SCHEMBL9935025 0.98 TP53 (0.44) TP53TSHRCTDSP1
SCHEMBL9934558 0.85 TP53 (0.43) TP53TSHRCTDSP1
SCHEMBL9936027 0.84 CDC25A (0.33) TP53
SCHEMBL9936110 0.83 TP53 (0.40) TP53
SCHEMBL9934459 0.80 CDC25A (0.31) TP53TSHRCTDSP1
SCHEMBL9935330 0.79 BBOX1 (0.33) TP53
SCHEMBL9935328 0.79 BBOX1 (0.33) TP53
Sulfuric Acid SCHEMBL17102582 0.79 TSHR (0.39) TP53TSHRCTDSP1KDM4E
Sulfuric Acid SCHEMBL17102587 0.78 TSHR (0.37) TP53TSHRCTDSP1KDM4E
SCHEMBL9935883 0.78

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 TP53 3461/4885TSHR 2384/4885CTDSP1 1265/4885

“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.