SCHEMBL12239769

SCHEMBL12239769

CC1OC(CO)C(O)C(O[C@@H](CC2CCCCC2)C(=O)O)C1OC(=O)c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ SELE P16581 12/20 0.59
▸ SELP P16109 8/20 0.50
▸ LGALS9 O00182 2/20 0.48
▸ LGALS1 P09382 2/20 0.48
▸ LGALS3 P17931 2/20 0.48
▸ LGALS7; LGALS7B P47929 1/20 0.48

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
SCHEMBL8515435 0.91 SELE (0.55) SELESELPLGALS9LGALS1LGALS3
SCHEMBL14823281 0.91 SELE (0.55) SELESELPLGALS9LGALS1LGALS3
SCHEMBL8514368 0.91 SELE (0.55) SELESELPLGALS9LGALS1LGALS3
SCHEMBL8514365 0.91 SELE (0.55) SELESELPLGALS9LGALS1LGALS3
SCHEMBL8515429 0.88 SELE (0.56) SELESELPLGALS9LGALS1LGALS3
SCHEMBL13077057 0.86 SELE (0.57) SELESELPLGALS9LGALS1LGALS3
SCHEMBL8515431 0.84 SELE (0.62) SELESELPLGALS9LGALS1LGALS3
SCHEMBL11981958 0.82 SELE (0.79) SELESELP
SCHEMBL12309895 0.81 SELE (0.71) SELESELP
SCHEMBL2003434 0.80 SELE (0.91) 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-8039442-B2 Compounds and methods for treatment of sickle cell disease or complications associated therewith GLYCOMIMETICS, INC. (US) 2011-10-18 — — US disclosed
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 55/4885LGALS9 261/4885

“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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