SCHEMBL9999668

SCHEMBL9999668

CC1OC(OC2C(NC(=O)c3cc(O)nc(O)n3)CC(C(=O)CCCNC(=O)COCCOCC(=O)Nc3cccc(CNc4cccc5cc(S(=O)(=O)O)cc(S(=O)(=O)O)c45)c3)CC2OC2OC(CO)C(O)C(O[C@@H](CC3CCCCC3)C(=O)O)C2OC(=O)c2ccccc2)C(O)C(O)C1O

nearest known ligand 0.66

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ SELE P16581 17/20 0.66
▸ SELP P16109 4/20 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
SCHEMBL2742900 0.95 SELE (0.71) SELESELP
SCHEMBL15214250 0.94 SELE (0.74) SELESELP
SCHEMBL9999657 0.94 SELE (0.66) SELESELP
SCHEMBL12216748 0.90 SELE (0.69) SELESELP
SCHEMBL9999662 0.89 SELE (0.64) SELESELP
Rivipansel SCHEMBL2958742 0.89 SELE (0.83) SELESELP
SCHEMBL13574211 0.88 SELE (0.66) SELESELP
SCHEMBL15298773 0.88 SELE (0.62) SELESELP
SCHEMBL12216730 0.88 SELE (0.64) SELE
SCHEMBL14667722 0.87 SELE (0.64) SELE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130261070-A1 ANTI-EPILEPTOGENIC AGENTS GLYCOMIMETICS, INC. 2013-10-03 — — US disclosed
US-8361975-B2 Compounds and methods for treatment of sickle cell or complications associated therewith GLYCOMIMETICS, INC. (US) 2013-01-29 — — US disclosed
US-20120015898-A1 COMPOUNDS AND METHODS FOR TREATMENT OF SICKLE CELL DISEASE OR COMPLICATIONS ASSOCIATED THEREWITH GLYCOMIMETICS, INC. (US) 2012-01-19 — — 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-20120015898-A1 COMPOUNDS AND METHODS FOR TREATMENT OF SICKLE CELL DISEASE OR COMPLICATIONS ASSOCIATED THEREWITH HBG1, HBG2, SORD SELE 8/4885SELP 55/4885
US-20130261070-A1 ANTI-EPILEPTOGENIC AGENTS GAP43, PYGB, NLN SELE 1302/4885SELP 640/4885

“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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