SCHEMBL13301328

SCHEMBL13301328

OC1COC(n2cc(COc3ccc(Br)cc3)nn2)C(O)C1O

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 3/20 0.53
▸ CA2 P00918 3/20 0.53
▸ CA9 Q16790 3/20 0.53
▸ CA12 O43570 2/20 0.53
▸ CA14 Q9ULX7 2/20 0.53
▸ PDCD1 Q15116 9/20 0.44
▸ CD274 Q9NZQ7 9/20 0.44
▸ OGA O60502 1/20 0.41

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
SCHEMBL13301313 0.97 CA1 (0.51) CA1CA2CA9CA12CA14
SCHEMBL13301324 0.91 CA9 (0.49) CA1CA2CA9CA12CA14
SCHEMBL13301330 0.89 CA1 (0.53) CA1CA2CA9CA12CA14
SCHEMBL13301333 0.89 CA1 (0.53) CA1CA2CA9CA12CA14
SCHEMBL13301311 0.89 CA1 (0.53) CA1CA2CA9CA12CA14
SCHEMBL13301329 0.89 CA1 (0.53) CA1CA2CA9CA12CA14
SCHEMBL13301310 0.88 CA1 (0.55) CA1CA2CA9CA12CA14
SCHEMBL13301312 0.87 PDCD1 (0.53) CA1CA2CA9CA12CA14
SCHEMBL13301317 0.84 CA1 (0.54) CA1CA2CA9CA12CA14
SCHEMBL13301322 0.84 CA1 (0.51) CA1CA2CA9CA12CA14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100143980-A1 SYNTHESIS OF NOVEL XYLOSIDES AND POTENTIAL USES THEREOF BALAGURUNATHAN KUBERAN 2010-06-10 — — US disclosed
US-20100143980-A1 SYNTHESIS OF NOVEL XYLOSIDES AND POTENTIAL USES THEREOF BALAGURUNATHAN KUBERAN 2010-06-10 — — 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-20100143980-A1 SYNTHESIS OF NOVEL XYLOSIDES AND POTENTIAL USES THEREOF CSGALNACT1, ST3GAL3, FUT6 CA1 3096/4885CA2 3266/4885CA9 1808/4885

“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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