SCHEMBL24489376

SCHEMBL24489376

CC[C@@H](COC1OC(C)C(O)C[C@H](O)C1O)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)NCCCCN

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ SELE P16581 14/20 0.42
▸ ALDH1A1 P00352 1/20 0.36
▸ THRB P10828 1/20 0.36
▸ MAPK1 P28482 1/20 0.33
▸ SELL P14151 1/20 0.33
▸ ESR1 P03372 1/20 0.33
▸ PGR P06401 1/20 0.33
▸ HTR1A P08908 1/20 0.33
▸ ADORA3 P0DMS8 1/20 0.33
▸ AR P10275 1/20 0.33
▸ CHRM1 P11229 1/20 0.33
▸ TBXA2R P21731 1/20 0.33
▸ PTGS1 P23219 1/20 0.33
▸ ADRA1A P35348 1/20 0.33
▸ KCNH2 Q12809 1/20 0.33

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
SCHEMBL19491871 0.90 SELE (0.49) SELEALDH1A1THRBMAPK1SELL
SCHEMBL19479261 0.85 SELE (0.45) SELEALDH1A1THRBMAPK1SELL
SCHEMBL21992170 0.83 SELE (0.46) SELEALDH1A1THRBMAPK1SELL
SCHEMBL24489392 0.83 SELE (0.49) SELEALDH1A1THRBMAPK1SELL
SCHEMBL19479292 0.82 SELE (0.52) SELEALDH1A1THRBMAPK1SELL
SCHEMBL19479265 0.81 SELE (0.44) SELEALDH1A1THRBMAPK1SELL
SCHEMBL25446620 0.81 SELE (0.48) SELEALDH1A1THRBMAPK1ESR1
SCHEMBL21991802 0.79 SELE (0.38) SELEALDH1A1THRBMAPK1
SCHEMBL21991817 0.79 SELE (0.50) SELEALDH1A1THRBSELL
SCHEMBL25446616 0.78 SELE (0.46) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220175808-A1 GALACTOPYRANOSYL-CYCLOHEXYL DERIVATIVES AS E-SELECTIN ANTAGONISTS GLYCOMIMETICS, INC. (US) 2022-06-09 — — 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-20220175808-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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