SCHEMBL21991864

SCHEMBL21991864

CC[C@@H](CO[C@@H](C)OC(C)C(O)[C@H](O)CO)CC(C[C@H](C)O[C@@H]1O[C@@H](CO)C(O)C(O[C@@H](CC2CCCCC2)C(=O)O)C1NC(C)=O)C(=O)NCc1ccc(CN)cc1

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ SELE P16581 11/20 0.35
▸ ALDH1A1 P00352 2/20 0.34
▸ THRB P10828 1/20 0.34
▸ MAG P20916 3/20 0.32
▸ MAPK1 P28482 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL21991802 0.91 SELE (0.38) SELEALDH1A1THRBMAGMAPK1
SCHEMBL24489383 0.87 SELE (0.39) SELEALDH1A1THRBMAGMAPK1
SCHEMBL21206319 0.84 SELE (0.40) SELEALDH1A1THRBMAG
SCHEMBL21992388 0.83 SELE (0.39) SELEALDH1A1THRBMAG
SCHEMBL24489397 0.80 SELE (0.41) SELEALDH1A1THRB
SCHEMBL24489408 0.79 SELE (0.43) SELE
SCHEMBL24489201 0.79 SELE (0.52) SELEMAGMAPK1
SCHEMBL19491871 0.76 SELE (0.49) SELEALDH1A1THRBMAPK1
SCHEMBL25446620 0.75 SELE (0.48) SELEALDH1A1THRBMAPK1SMN1; SMN2
SCHEMBL24489376 0.73 SELE (0.42) SELEALDH1A1THRBMAPK1

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-11197877-B2 Galactopyranosyl-cyclohexyl derivauves as E-selectin antagonists GLYCOMIMETICS. INC. (US) 2021-12-14 — — US disclosed
US-20200129536-A1 GALACTOPYRANOSYL-CYCLOHEXYL DERIVATIVES AS E-SELECTIN ANTAGONISTS GLYCOMIMETICS, INC. (US) 2020-04-30 — — 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-11197877-B2 Galactopyranosyl-cyclohexyl derivauves as E-selectin antagonists SELE, SELPLG, SELP SELE 1/4885ALDH1A1 371/4885THRB 1735/4885
US-20200129536-A1 GALACTOPYRANOSYL-CYCLOHEXYL DERIVATIVES AS E-SELECTIN ANTAGONISTS SELE, SELPLG, SELP SELE 1/4885ALDH1A1 636/4885THRB 1437/4885

“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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