SCHEMBL21206347

SCHEMBL21206347

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)C(O)C(O)C1O

nearest known ligand 0.69

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ SELE P16581 16/20 0.69
▸ MAPK1 P28482 1/20 0.38
▸ SELL P14151 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ THRB P10828 1/20 0.37

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
SCHEMBL23943277 0.95 SELE (0.67) SELEMAPK1SELLALDH1A1THRB
SCHEMBL19939764 0.94 SELE (0.74) SELEMAPK1SELL
SCHEMBL16659822 0.94 SELE (0.74) SELEMAPK1SELL
SCHEMBL26407401 0.93 SELE (0.71) SELEMAPK1SELL
SCHEMBL25565231 0.93 SELE (0.71) SELEMAPK1SELL
SCHEMBL22400259 0.93 SELE (0.71) SELEMAPK1SELL
SCHEMBL22247269 0.93 SELE (0.71) SELEMAPK1SELL
SCHEMBL17151748 0.93 SELE (0.74) SELEMAPK1SELL
SCHEMBL17148785 0.93 SELE (0.74) SELEMAPK1SELL
SCHEMBL21204914 0.92 SELE (0.69) SELEMAPK1SELL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230165882-A1 COMPOUNDS AND METHODS FOR REDUCTION OF CANCER CELL BURDEN AND PROTECTION OF NORMAL HEMATOPOIESIS GLYCOMIMETICS, INC. (US) 2023-06-01 — — US disclosed
US-20230147312-A1 TREATMENT OF ACUTE RESPIRATORY DISTRESS SYNDROME AND RELATED CONDITIONS WITH ANTAGONISTS OF E-SELECTIN GLYCOMIMETICS, INC. (US) 2023-05-11 — — US disclosed
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 (4 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 3831/4885SELL 4/4885
US-11072625-B2 Highly potent multimeric e-selectin antagonists SELE, SELP, SELPLG SELE 1/4885MAPK1 3949/4885SELL 4/4885
US-20230165882-A1 COMPOUNDS AND METHODS FOR REDUCTION OF CANCER CELL BURDEN AND PROTECTION OF NORMAL HEMATOPOIESIS FLT3, SELE, SELL SELE 2/4885MAPK1 2131/4885SELL 3/4885
US-20230147312-A1 TREATMENT OF ACUTE RESPIRATORY DISTRESS SYNDROME AND RELATED CONDITIONS WITH ANTAGONISTS OF E-SELECTIN SELP, SELE, SELPLG SELE 2/4885MAPK1 3462/4885SELL 4/4885

“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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