SCHEMBL9934277

SCHEMBL9934277

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

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC25A P30304 1/20 0.35
BBOX1 O75936 2/20 0.34
APOBEC3A P31941 2/20 0.33
APOBEC3G Q9HC16 2/20 0.33
KDM4E B2RXH2 1/20 0.33
LMNA P02545 3/20 0.32
KMT2A Q03164 2/20 0.32
TSHR P16473 2/20 0.32
CYP3A4 P08684 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
BLM P54132 1/20 0.32
PMP22 Q01453 1/20 0.32
TP53 P04637 1/20 0.32
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
CTDSP1 Q9GZU7 1/20 0.31
CHRM2 P08172 1/20 0.30
CHRM4 P08173 1/20 0.30
CHRM5 P08912 1/20 0.30
CHRM1 P11229 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
SCHEMBL9934792 0.98 BBOX1 (0.35) CDC25ABBOX1APOBEC3AAPOBEC3GKDM4E
SCHEMBL9935385 0.83 CDC25A (0.32) CDC25ATSHRTP53CTDSP1
SCHEMBL9935239 0.83 BBOX1 (0.37) CDC25ABBOX1APOBEC3AAPOBEC3GKDM4E
SCHEMBL9934459 0.82 CDC25A (0.31) CDC25ATSHRTP53CTDSP1
SCHEMBL9935644 0.81 BBOX1 (0.38) CDC25ABBOX1APOBEC3AAPOBEC3GLMNA
SCHEMBL9935883 0.80
SCHEMBL9935939 0.80
SCHEMBL9935565 0.78
SCHEMBL1920897 0.75 KDM4E (0.50) BBOX1APOBEC3AAPOBEC3GKDM4ELMNA
SCHEMBL10256521 0.75 KDM4E (0.50) BBOX1APOBEC3AAPOBEC3GKDM4ELMNA

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 CDC25A 2293/4885BBOX1 4837/4885APOBEC3A 2435/4885

“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.