SCHEMBL9935197

SCHEMBL9935197

C=CCS(=O)(=O)[O-].CCCC[N+]1(C)CCOCC1

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CDC25A P30304 1/20 0.42
HPGD P15428 1/20 0.35
ALOX15 P16050 1/20 0.35
CYP2C9 P11712 1/20 0.31
CTDSP1 Q9GZU7 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL9935070 0.91 CDC25A (0.38) CDC25AHPGDALOX15CYP2C9CTDSP1
SCHEMBL9936247 0.87 CDC25A (0.32) CDC25A
SCHEMBL9935644 0.87 BBOX1 (0.38) CDC25A
SCHEMBL9935239 0.85 BBOX1 (0.37) CDC25A
SCHEMBL9934815 0.85 CDC25A (0.31) CDC25A
Sulfuric Acid SCHEMBL17102678 0.85 CDC25A (0.50) CDC25AHPGDALOX15CYP2C9CTDSP1
Sulfuric Acid SCHEMBL17102648 0.82 CDC25A (0.48) CDC25AHPGDALOX15CYP2C9CTDSP1
SCHEMBL9936139 0.81 CTDSP1 (0.33) CTDSP1
SCHEMBL9935700 0.80
SCHEMBL17102598 0.79 CDC25A (0.49) CDC25AHPGDALOX15CYP2C9CTDSP1

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 CDC25A 2293/4885HPGD 4774/4885ALOX15 2249/4885

“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.