SCHEMBL24092210

SCHEMBL24092210

CC[C@@H]1CC(C(=O)NNC(=O)C(F)(F)F)CC(O[C@@H]2O[C@@H](CO)C(O)C(O[C@@H](CC3CCCCC3)C(=O)O)C2NC(C)=O)C1O[C@@H](C)OC(C)C(O)[C@H](O)CO

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ SELE P16581 14/20 0.52
▸ MAG P20916 4/20 0.33
▸ MAPK1 P28482 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.31
▸ THRB P10828 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
SCHEMBL21993227 0.87 SELE (0.58) SELEMAGMAPK1ALDH1A1THRB
SCHEMBL24489201 0.85 SELE (0.52) SELEMAGMAPK1
SCHEMBL23943292 0.82 SELE (0.57) SELEMAG
SCHEMBL19508765 0.80 SELE (0.58) SELEMAGMAPK1ALDH1A1THRB
SCHEMBL19479260 0.78 SELE (0.47) SELEMAPK1
SCHEMBL24489395 0.78 SELE (0.77) SELE
SCHEMBL21206318 0.78 SELE (0.60) SELEMAGMAPK1ALDH1A1THRB
SCHEMBL21992402 0.76 SELE (0.74) SELE
SCHEMBL19939770 0.76 SELE (0.65) SELE
SCHEMBL16659827 0.76 SELE (0.65) 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 1 patent. 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

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-11197877-B2 Galactopyranosyl-cyclohexyl derivauves as E-selectin antagonists SELE, SELPLG, SELP SELE 1/4885MAG 97/4885MAPK1 3061/4885

“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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