SCHEMBL10183869

SCHEMBL10183869

CC1(C)O[C@@H]2[C@@H](CO)OC(/C(C#N)=C/OS(C)(=O)=O)[C@@H]2O1

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 2/20 0.32
▸ CA1 P00915 1/20 0.32
▸ CA9 Q16790 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
SCHEMBL10183868 0.79 PI4KA (0.32) —
SCHEMBL867177 0.77 ALDH1A1 (0.34) —
SCHEMBL10183344 0.74 — —
SCHEMBL10184229 0.72 — —
SCHEMBL18026286 0.71 — —
SCHEMBL10183834 0.70 PI4KA (0.31) —
SCHEMBL10149458 0.69 — —
SCHEMBL27316665 0.67 LGALS3 (0.43) CA2CA1CA9
SCHEMBL18026288 0.66 — —
SCHEMBL24686932 0.66 PI4KA (0.41) CA2CA1CA9

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120077814-A1 SULFONAMIDE, SULFAMATE, AND SULFAMOTHIOATE DERIVATIVES WANG ZHONG (US) 2012-03-29 — — 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-20120077814-A1 SULFONAMIDE, SULFAMATE, AND SULFAMOTHIOATE DERIVATIVES NEDD8, NAE1, UBA3 CA2 1864/4885CA1 1182/4885CA9 1038/4885

“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.

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