SCHEMBL13482776

SCHEMBL13482776

COC1OC(CO)[C@H](O)[C@H](O)C1N=[N+]=[N-]

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ LGALS8 O00214 5/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ MAPT P10636 1/20 0.37
▸ CD209 Q9NNX6 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ OGA O60502 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ HIF1A Q16665 1/20 0.36
▸ PYGB P11216 1/20 0.36
▸ FGF1 P05230 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
SCHEMBL20033536 1.00 LGALS8 (0.43) LGALS8L3MBTL1MAPTCD209GAA
SCHEMBL17256295 1.00 LGALS8 (0.43) LGALS8L3MBTL1MAPTCD209GAA
SCHEMBL13483316 1.00 LGALS8 (0.43) LGALS8L3MBTL1MAPTCD209GAA
SCHEMBL14864297 1.00 LGALS8 (0.43) LGALS8L3MBTL1MAPTCD209GAA
SCHEMBL18723048 1.00 LGALS8 (0.43) LGALS8L3MBTL1MAPTCD209GAA
SCHEMBL23723836 1.00 LGALS8 (0.43) LGALS8L3MBTL1MAPTCD209GAA
SCHEMBL16504207 1.00 LGALS8 (0.43) LGALS8L3MBTL1MAPTCD209GAA
SCHEMBL17154136 0.88 LGALS8 (0.39) LGALS8L3MBTL1MAPTCD209OGA
SCHEMBL14802349 0.88 LGALS8 (0.39) LGALS8L3MBTL1MAPTCD209OGA
SCHEMBL15293443 0.88 LGALS8 (0.39) LGALS8L3MBTL1MAPTCD209OGA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110236930-A1 CHEMOSELECTIVE LIGATION NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2011-09-29 — — US disclosed
US-7939626-B2 Condensation of a specifically engineered phosphine containing a cleavable linker so that a substituent of the phosphine is transferred to the azide, releasing an oxidized phosphine by-product and producing an amide bond in final product THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-05-10 — — US disclosed
US-7923582-B2 Condensation of a specifically engineered phosphine containing a cleavable linker so that a substituent of the phosphine is transferred to the azide, releasing an oxidized phosphine by-product and producing an amide bond in final product THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-04-12 — — US disclosed
US-7838665-B2 Chemoselective ligation THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2010-11-23 — — US disclosed
US-7667012-B2 Condensation of a specifically engineered phosphine containing a cleavable linker so that a substituent of the phosphine is transferred to the azide, releasing an oxidized phosphine by-product and producing an amide bond in final product; N-azidogalactosamine THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2010-02-23 — — US disclosed
US-20080214801-A1 CHEMOSELECTIVE LIGATION THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2008-09-04 — — US disclosed
US-20070037964-A1 Condensation of a specifically engineered phosphine containing a cleavable linker so that a substituent of the phosphine is transferred to the azide, releasing an oxidized phosphine by-product and producing an amide bond in final product THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2007-02-15 — — 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 (3 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-20110236930-A1 CHEMOSELECTIVE LIGATION PTMS, QPCT, DNPEP LGALS8 3792/4885L3MBTL1 616/4885MAPT 4467/4885
US-20070037964-A1 Condensation of a specifically engineered phosphine containing a cleavable linker so that a substituent of the phosphine is transferred to the azide, releasing an oxidized phosphine by-product and producing an amide bond in final product PTMS, PHOSPHO1, QPCT LGALS8 3605/4885L3MBTL1 1151/4885MAPT 3867/4885
US-20080214801-A1 CHEMOSELECTIVE LIGATION PTMS, QPCT, DNPEP LGALS8 3792/4885L3MBTL1 616/4885MAPT 4467/4885

“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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