SCHEMBL13969717

SCHEMBL13969717

CCCCOC1C(C)OC(OC2C(NC(=O)c3cc(O)nc(O)n3)CC(C=O)CC2OC2OC(COC(=O)c3ccccc3)C(OC(=O)c3ccccc3)C(O[C@@H](CC3CCCCC3)C(=O)OCc3ccccc3)C2OC(=O)c2ccccc2)C(OCCCC)C1OCCCC

nearest known ligand 0.42

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ SELE P16581 6/20 0.42
▸ SELP P16109 1/20 0.31

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
SCHEMBL13077624 0.94 SELE (0.45) SELESELP
SCHEMBL12240500 0.94 SELE (0.48) SELESELP
SCHEMBL15434743 0.88 SELE (0.40) SELESELP
SCHEMBL14823278 0.85 SELE (0.53) SELESELP
SCHEMBL13570046 0.84 SELE (0.33) SELE
SCHEMBL13657359 0.82 SELE (0.43) SELESELP
SCHEMBL11982131 0.82 SELE (0.45) SELESELP
SCHEMBL14823284 0.82 SELE (0.45) SELESELP
SCHEMBL18938433 0.82 SELE (0.47) SELESELP
SCHEMBL12246579 0.82 SELE (0.49) 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-20090023679-A1 Compounds and methods for treatment of sickle cell disease or complications associated therewith GLYCOMIMETICS, INC. (US) 2009-01-22 — — 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-20090023679-A1 Compounds and methods for treatment of sickle cell disease or complications associated therewith HBG1, HBG2, SORD SELE 8/4885SELP 55/4885

“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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