SCHEMBL21206362

SCHEMBL21206362

CC[C@@H]1CC(C(C)C)CC(O[C@@H]2O[C@@H](CO)C(O)C(O[C@@H](CC3CCCCC3)C(=O)O)C2NC(C)=O)C1OC1OC(C(F)(F)F)C(O)C(O)C1O

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ SELE P16581 15/20 0.59
▸ MAPK1 P28482 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.35
▸ THRB P10828 1/20 0.35
▸ LGALS8 O00214 1/20 0.34
▸ LGALS3 P17931 1/20 0.34
▸ LGALS4 P56470 1/20 0.34
▸ CD69 Q07108 1/20 0.33

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
SCHEMBL23943307 0.96 SELE (0.57) SELEMAPK1ALDH1A1THRBLGALS8
SCHEMBL21206351 0.92 SELE (0.59) SELEMAPK1ALDH1A1THRBLGALS8
SCHEMBL21206347 0.91 SELE (0.69) SELEMAPK1ALDH1A1THRB
SCHEMBL16661823 0.91 SELE (0.60) SELEMAPK1ALDH1A1THRBLGALS8
SCHEMBL15070100 0.91 SELE (0.60) SELEMAPK1ALDH1A1THRBLGALS8
SCHEMBL17881667 0.91 SELE (0.60) SELEMAPK1ALDH1A1THRBLGALS8
SCHEMBL25446767 0.88 SELE (0.57) SELEMAPK1ALDH1A1THRB
SCHEMBL23943277 0.86 SELE (0.67) SELEMAPK1ALDH1A1THRB
SCHEMBL19939764 0.85 SELE (0.74) SELEMAPK1LGALS8LGALS3LGALS4
SCHEMBL16659822 0.85 SELE (0.74) SELEMAPK1LGALS8LGALS3LGALS4

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-11072625-B2 Highly potent multimeric e-selectin antagonists GLYCOMIMETICS, INC. (US) 2021-07-27 — — US disclosed
US-20190233458-A1 HIGHLY POTENT MULTIMERIC E-SELECTIN ANTAGONISTS GLYCOMIMETICS, INC. (US) 2019-08-01 — — 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 (2 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-20190233458-A1 HIGHLY POTENT MULTIMERIC E-SELECTIN ANTAGONISTS SELE, SELP, SELPLG SELE 1/4885MAPK1 3831/4885ALDH1A1 759/4885
US-11072625-B2 Highly potent multimeric e-selectin antagonists SELE, SELP, SELPLG SELE 1/4885MAPK1 3949/4885ALDH1A1 773/4885

“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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