SCHEMBL9935884

SCHEMBL9935884

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 5/20 0.39
MMP13 P45452 5/20 0.39
MMP1 P03956 4/20 0.39
ADAM17 P78536 2/20 0.39
PKM P14618 2/20 0.34
PABPC1 P11940 1/20 0.34
EIF4H Q15056 1/20 0.34
CTDSP1 Q9GZU7 1/20 0.34
CYP19A1 P11511 3/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
MMP2 P08253 1/20 0.33
MMP8 P22894 1/20 0.33
GAA P10253 1/20 0.33
ALOX5 P09917 1/20 0.33
PTGS2 P35354 1/20 0.33
ALDH1A1 P00352 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
LMNA P02545 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL9935722 0.83 FFAR4 (0.39) MMP9MMP13MMP1PKMPABPC1
SCHEMBL9935647 0.82 NPSR1 (0.36) MMP9MMP13MMP1PKMPABPC1
SCHEMBL9935650 0.82 NPSR1 (0.36) MMP9MMP13MMP1PKMPABPC1
SCHEMBL9934634 0.80 PKM (0.44) MMP9MMP13MMP1PKMPABPC1
SCHEMBL9935346 0.79 NPSR1 (0.36) MMP9MMP13MMP1PKMPABPC1
SCHEMBL9936252 0.75 PABPC1 (0.40) MMP9MMP13MMP1PKMPABPC1
SCHEMBL9935352 0.74 CA1 (0.48) CA1CA2GAAALDH1A1NPSR1
SCHEMBL9936370 0.68 HSP90AA1 (0.31)
SCHEMBL9935416 0.67 ALDH1A1 (0.36) PKMGAAPTGS2ALDH1A1LMNA
SCHEMBL9935241 0.66 DHODH (0.31)

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 MMP9 4518/4885MMP13 4846/4885MMP1 4341/4885

“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.