SCHEMBL12419366

SCHEMBL12419366

CCCC(CC)C[C@H](OC1C(O)C(CO)OC(OC2CC(C(=O)NCCNC(=O)COCCOCC(=O)Nc3cc(S(=O)(=O)O)cc4cc(S(=O)(=O)O)cc(S(=O)(=O)O)c34)CC(NC(=O)c3cc(O)nc(O)n3)C2OC2OC(C)C(O)C(O)C2O)C1OC(=O)c1ccccc1)C(=O)O

nearest known ligand 0.70

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ SELE P16581 12/20 0.70
▸ SELP P16109 5/20 0.32

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
Rivipansel SCHEMBL2958742 0.92 SELE (0.83) SELESELP
SCHEMBL12216731 0.88 SELE (0.76) SELESELP
SCHEMBL15214250 0.87 SELE (0.74) SELESELP
SCHEMBL25562916 0.86 SELE (0.73) SELE
SCHEMBL12239982 0.85 SELE (0.72) SELE
SCHEMBL13574211 0.85 SELE (0.66) SELESELP
SCHEMBL14667944 0.84 SELE (0.71) SELE
SCHEMBL1671382 0.84 SELE (0.60) SELESELP
SCHEMBL2742900 0.84 SELE (0.71) SELESELP
SCHEMBL15160862 0.84 SELE (0.70) SELESELP

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 2/4885

“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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