SCHEMBL22051432

SCHEMBL22051432

CC1OC(OC2C(NC(=O)c3cc(O)nc(O)n3)CC(C(=O)NCCCc3cn(CCCC(=O)Nc4ccc(S(=O)(=O)O)c5cc(S(=O)(=O)O)cc(S(=O)(=O)O)c45)nn3)CC2OC2OC(CO)C(O)C(O[C@@H](CC3CCCCC3)C(=O)O)C2OC(=O)c2ccccc2)C(O)C(O)C1O

nearest known ligand 0.64

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ SELE P16581 18/20 0.64
▸ SELP P16109 2/20 0.36

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
SCHEMBL22050551 0.99 SELE (0.64) SELESELP
SCHEMBL22050539 0.99 SELE (0.64) SELESELP
SCHEMBL22050540 0.96 SELE (0.70) SELESELP
SCHEMBL22050550 0.95 SELE (0.70) SELESELP
SCHEMBL22050542 0.94 SELE (0.70) SELESELP
SCHEMBL22050884 0.92 SELE (0.68) SELESELP
SCHEMBL22051435 0.90 SELE (0.69) SELESELP
SCHEMBL22050543 0.90 SELE (0.68) SELESELP
SCHEMBL22050886 0.90 SELE (0.68) SELESELP
SCHEMBL22052191 0.89 SELE (0.69) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200171005-A9 Heterobifunctional Pan-Selectin Antagonists Having a Triazole Linker GLYCOMIMETICS, INC. (US) 2020-06-04 — — 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-20200171005-A9 Heterobifunctional Pan-Selectin Antagonists Having a Triazole Linker SELE, SELP, SELPLG 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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