SCHEMBL13814628

SCHEMBL13814628

CS[C@@H]1OC(CO)[C@@H](O)C(OC(=O)c2ccccc2)C1N=[N+]=[N-]

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ LGALS3 P17931 9/20 0.61
▸ LGALS9 O00182 7/20 0.61
▸ LGALS1 P09382 7/20 0.61
▸ LGALS7; LGALS7B P47929 6/20 0.61
▸ LGALS8 O00214 6/20 0.48
▸ LGALS4 P56470 1/20 0.39
▸ PTPN1 P18031 3/20 0.38
▸ SELP P16109 3/20 0.37
▸ MAOB P27338 1/20 0.36
▸ SELE P16581 1/20 0.36

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
SCHEMBL13804416 1.00 LGALS3 (0.61) LGALS3LGALS9LGALS1LGALS7; LGALS7BLGALS8
SCHEMBL14900285 1.00 LGALS3 (0.61) LGALS3LGALS9LGALS1LGALS7; LGALS7BLGALS8
SCHEMBL13804400 1.00 LGALS3 (0.61) LGALS3LGALS9LGALS1LGALS7; LGALS7BLGALS8
SCHEMBL14878331 1.00 LGALS3 (0.61) LGALS3LGALS9LGALS1LGALS7; LGALS7BLGALS8
SCHEMBL14546394 0.92 LGALS3 (0.58) LGALS3LGALS9LGALS1LGALS7; LGALS7BLGALS8
SCHEMBL15086135 0.92 LGALS3 (0.58) LGALS3LGALS9LGALS1LGALS7; LGALS7BLGALS8
SCHEMBL14878341 0.92 LGALS3 (0.58) LGALS3LGALS9LGALS1LGALS7; LGALS7BLGALS8
SCHEMBL15086161 0.92 LGALS3 (0.50) LGALS3LGALS9LGALS1LGALS7; LGALS7BLGALS8
SCHEMBL16330468 0.90 LGALS9 (0.48) LGALS3LGALS9LGALS1LGALS7; LGALS7BLGALS8
SCHEMBL14900286 0.90 LGALS9 (0.48) LGALS3LGALS9LGALS1LGALS7; LGALS7BLGALS8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8222381-B2 Derivatives of monosaccharides for drug discovery ALCHEMIA LIMITED (AU) 2012-07-17 — — US disclosed
US-20090163373-A1 Method of Drug Design ALCHEMIA LIMITED (AU) 2009-06-25 — — US disclosed
US-20080009418-A1 Selective Inhibitors ALCHEMIA LTD. (AU) 2008-01-10 — — 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-20080009418-A1 Selective Inhibitors MCL1, ABCG2, GDI2 LGALS3 2903/4885LGALS9 2777/4885LGALS1 2052/4885

“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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