SCHEMBL12903209

SCHEMBL12903209

CC(=O)N[C@@H]1C(O)C[C@](OC2C(O)[C@H](O[C@@H]3C(CO)O[C@@H](C)C(NC(=O)c4ccccc4O)[C@H]3O[C@@H]3OC(C)[C@@H](O)C(O)[C@@H]3O)OC(CO)[C@@H]2O)(C(=O)O)OC1[C@H](O)[C@H](O)CO

nearest known ligand 0.70

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ SELE P16581 5/20 0.66
▸ MAG P20916 6/20 0.62
▸ SELP P16109 2/20 0.62
▸ SELL P14151 1/20 0.62
▸ SIGLEC7 Q9Y286 6/20 0.55

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
SCHEMBL12903208 0.93 SELE (0.62) SELEMAGSELPSELLSIGLEC7
SCHEMBL22763983 0.91 SELP (0.72) SELEMAGSELPSELLSIGLEC7
SCHEMBL13541587 0.91 SELP (0.72) SELEMAGSELPSELLSIGLEC7
SCHEMBL12903211 0.91 SELE (0.69) SELEMAGSELPSELLSIGLEC7
SCHEMBL12903212 0.89 SELE (0.67) SELEMAGSELPSELLSIGLEC7
SCHEMBL12903210 0.88 SELE (0.62) SELEMAGSELPSELLSIGLEC7
SCHEMBL14268468 0.88 SELP (0.70) SELEMAGSELPSELLSIGLEC7
SCHEMBL14518953 0.88 SELP (0.70) SELEMAGSELPSELLSIGLEC7
SCHEMBL14331141 0.88 SELP (0.70) SELEMAGSELPSELLSIGLEC7
SCHEMBL17903030 0.87 SELE (0.62) SELEMAGSELPSELLSIGLEC7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9486497-B2 Treatment of immunocompromised conditions THE UNIVERSITY OF QUEENSLAND (AU) 2016-11-08 — — US disclosed
US-20160193294-A1 COMPOSITIONS COMPRISING E-SELECTIN ANTAGONISTS AND USES THEREFOR THE UNIVERSITY OF QUEENSLAND (AU) 2016-07-07 — — US disclosed
US-9254322-B2 Compositions comprising E-selectin antagonists and uses therefor THE UNIVERSITY OF QUEENSLAND (AU) 2016-02-09 — — US disclosed
US-20110020270-A1 TREATMENT AND PROPHYLAXIS MATER MEDICAL RESEARCH INSTITUTE 2011-01-27 — — US disclosed
US-20110002881-A1 TREATMENT AND PROPHYLAXIS MATER MEDICAL RESEARCH INSTITUTE (AU) 2011-01-06 — — 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-20110020270-A1 TREATMENT AND PROPHYLAXIS SELP, SELE, SELL SELE 2/4885MAG 1778/4885SELP 1/4885
US-20110002881-A1 TREATMENT AND PROPHYLAXIS SELP, SELE, SELPLG SELE 2/4885MAG 1675/4885SELP 1/4885
US-20160193294-A1 COMPOSITIONS COMPRISING E-SELECTIN ANTAGONISTS AND USES THEREFOR SELL, SELP, SELE SELE 3/4885MAG 979/4885SELP 2/4885

“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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