SCHEMBL9936301

SCHEMBL9936301

C=CCS(=O)(=O)OCCCC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 11/20 0.48
CA1 P00915 10/20 0.48
CA9 Q16790 9/20 0.42
CA12 O43570 3/20 0.41
CA7 P43166 3/20 0.41
CA14 Q9ULX7 3/20 0.41
CA3 P07451 2/20 0.41
CA4 P22748 2/20 0.41
CA6 P23280 2/20 0.41
CA5A P35218 2/20 0.41
CA5B Q9Y2D0 2/20 0.41
TSHR P16473 5/20 0.39
HPGD P15428 2/20 0.39
RECQL P46063 2/20 0.39
GLA P06280 1/20 0.39
MAPK1 P28482 1/20 0.39
EPHX2 P34913 1/20 0.39
BLM P54132 1/20 0.39
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.34

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
Fluoride SCHEMBL28745956 0.98 CA2 (0.47) CA2CA1CA9CA12CA7
SCHEMBL22129570 0.98 CA2 (0.47) CA2CA1CA9CA12CA7
SCHEMBL30893 0.94 CA1 (0.50) CA2CA1CA9CA12CA7
SCHEMBL9418535 0.94 CA1 (0.50) CA2CA1CA9CA12CA7
Ammonia Solution, Strong SCHEMBL1646991 0.92 CA1 (0.48) CA2CA1CA9CA12CA7
Formaldehyde SCHEMBL5810342 0.92 CA1 (0.48) CA2CA1CA9CA12CA7
SCHEMBL5857046 0.92 CA1 (0.52) CA2CA1CA9CA12CA7
SCHEMBL1419888 0.92 CA1 (0.48) CA2CA1CA9CA12CA7
SCHEMBL367216 0.92 CA1 (0.52) CA2CA1CA9CA12CA7
SCHEMBL9723336 0.92 CA1 (0.48) CA2CA1CA9CA12CA7

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
CN-114163581-A Concrete tackifier and preparation method thereof 安徽海螺新材料科技有限公司 2022-03-11 CN claimed
CN-114163581-A Concrete tackifier and preparation method thereof 安徽海螺新材料科技有限公司 2022-03-11 CN disclosed
EP-2474527-B1 IONIC LIQUID CONTAINING ALLYLSULFONATE ANION WAKO PURE CHEM IND LTD (JP) 2017-01-25 EP disclosed
CN-102482208-B Ionic Liquid Containing Allyl Sulfonate Anion WAKO PURE CHEMICAL INDUSTRY CO LTD 2014-02-26 CN 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
CN-102482208-A Ionic Liquid Containing Allyl Sulfonate Anion WAKO PURE CHEM IND LTD 2012-05-30 CN 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 CA2 666/4885CA1 2316/4885CA9 2912/4885

“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.