SCHEMBL9935722

SCHEMBL9935722

C=CCS(=O)(=O)[O-].CC[n+]1ccc(OC)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 1/20 0.39
ALDH1A1 P00352 4/20 0.37
TP53 P04637 1/20 0.37
CYP3A4 P08684 1/20 0.37
ALOX15 P16050 1/20 0.37
TSHR P16473 1/20 0.37
ALOX12 P18054 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
APLNR P35414 1/20 0.36
PKM P14618 4/20 0.36
MMP13 P45452 5/20 0.36
MMP1 P03956 4/20 0.36
MMP9 P14780 2/20 0.36
PABPC1 P11940 1/20 0.35
EIF4H Q15056 1/20 0.35
CTDSP1 Q9GZU7 1/20 0.35
HSP90AA1 P07900 1/20 0.32
HPGD P15428 1/20 0.32
MMP8 P22894 2/20 0.32
CA1 P00915 1/20 0.32

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
SCHEMBL9936252 0.86 PABPC1 (0.40) FFAR4ALDH1A1TP53CYP3A4ALOX15
SCHEMBL9935650 0.84 NPSR1 (0.36) FFAR4ALDH1A1TP53CYP3A4TSHR
SCHEMBL9935647 0.84 NPSR1 (0.36) FFAR4ALDH1A1TP53CYP3A4TSHR
SCHEMBL9935884 0.83 MMP9 (0.39) ALDH1A1PKMMMP13MMP1MMP9
SCHEMBL9934634 0.82 PKM (0.44) ALDH1A1APLNRPKMMMP13MMP1
SCHEMBL9935346 0.78 NPSR1 (0.36) ALDH1A1PKMMMP13MMP1MMP9
SCHEMBL9935707 0.78
SCHEMBL9935352 0.77 CA1 (0.48) ALDH1A1CYP3A4CA1CA2GAA
SCHEMBL1292845 0.71 HDAC8 (0.40) ALDH1A1HPGDLMNA
SCHEMBL18950597 0.69 PKM (0.53) FFAR4ALDH1A1TP53CYP3A4ALOX15

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 8 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 claimed
US-8546609-B2 Ionic liquid containing allylsulfonate anion WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2013-10-01 US claimed
EP-2474527-A1 IONIC LIQUID CONTAINING ALLYLSULFONATE ANION Wako Pure Chemical Industries, Ltd. (JP) 2012-07-11 EP claimed
US-20120157680-A1 IONIC LIQUID CONTAINING ALLYLSULFONATE ANION WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2012-06-21 US claimed
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 FFAR4 3021/4885ALDH1A1 3717/4885TP53 3461/4885

“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.