SCHEMBL13380916

SCHEMBL13380916

CC1O[C@H]([C@H]2COC(C)(C)O2)[C@@H]2OC(C)(C)O[C@H]12

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 7/20 0.46
▸ CA1 P00915 6/20 0.46
▸ CA9 Q16790 3/20 0.46
▸ CA12 O43570 2/20 0.35
▸ CA4 P22748 2/20 0.35
▸ CA5A P35218 2/20 0.35
▸ CA7 P43166 2/20 0.35
▸ CA14 Q9ULX7 2/20 0.35
▸ CA5B Q9Y2D0 2/20 0.35
▸ CA6 P23280 1/20 0.35
▸ CA13 Q8N1Q1 1/20 0.35

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
SCHEMBL13191129 1.00 CA2 (0.46) CA2CA1CA9CA12CA4
SCHEMBL14272652 1.00 CA2 (0.46) CA2CA1CA9CA12CA4
SCHEMBL12047582 0.84 CA2 (0.44) CA2CA1CA9CA12CA4
SCHEMBL6854868 0.83 CA2 (0.49) CA2CA1CA9CA12CA4
SCHEMBL7155660 0.83 CA2 (0.49) CA2CA1CA9CA12CA4
SCHEMBL2368037 0.83 CA2 (0.49) CA2CA1CA9CA12CA4
SCHEMBL12708713 0.83 CA2 (0.49) CA2CA1CA9CA12CA4
SCHEMBL24079389 0.81 CA2 (0.47) CA2CA1CA9CA12CA4
SCHEMBL15432496 0.81 CA2 (0.47) CA2CA1CA9CA12CA4
SCHEMBL12230182 0.81 CA2 (0.47) CA2CA1CA9CA12CA4

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-20100081693-A1 THIADIAZOLE COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-04-01 — — 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-20100081693-A1 THIADIAZOLE COMPOUND AND USE THEREOF NR2C2, NR4A3, NR0B2 CA2 3688/4885CA1 4105/4885CA9 4625/4885

“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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