SCHEMBL12421186

SCHEMBL12421186

COC(=O)C1CC(NC(=O)c2cc(O)nc(O)n2)C(OC2OC(C)C(O)C(O)C2O)C(OC2OC(CO)C(O)C(OC3(C(=O)O)CC(O)C(NC(C)=O)C([C@H](O)[C@H](O)CO)O3)C2OC(=O)c2ccccc2)C1

nearest known ligand 0.50

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ SELE P16581 6/20 0.50
▸ SELP P16109 2/20 0.50
▸ SELL P14151 1/20 0.50
▸ MAG P20916 8/20 0.46
▸ SIGLEC7 Q9Y286 3/20 0.42

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
SCHEMBL12420062 0.93 SELE (0.48) SELESELPSELLMAGSIGLEC7
SCHEMBL15839400 0.87 SELE (0.43) SELESELPSELLMAG
SCHEMBL15839489 0.87 SELP (0.54) SELESELPSELLMAGSIGLEC7
SCHEMBL11962144 0.85 MAG (0.53) SELESELPSELLMAG
SCHEMBL15434868 0.85 SELE (0.42) SELESELPSELLMAG
SCHEMBL14557931 0.84 SELE (0.42) SELESELPSELLMAG
SCHEMBL15434865 0.84 SELE (0.41) SELESELPSELLMAGSIGLEC7
SCHEMBL19559699 0.83 SELE (0.46) SELESELPSELLMAGSIGLEC7
SCHEMBL15434864 0.83 SELE (0.42) SELESELPSELLMAG
SCHEMBL12257341 0.82 SELE (0.48) SELESELPSELLMAG

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-7989601-B2 Heterobifunctional pan-selectin inhibitors GLYCOMIMETICS, INC. (US) 2011-08-02 — — US disclosed
US-20100204170-A1 HETEROBIFUNCTIONAL PAN-SELECTIN INHIBITORS GLYCOMIMETICS, INC. (US) 2010-08-12 — — 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-20100204170-A1 HETEROBIFUNCTIONAL PAN-SELECTIN INHIBITORS SELE, SELP, BSG SELE 1/4885SELP 2/4885SELL 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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