SCHEMBL24489402

SCHEMBL24489402

CC(=O)NC1C(O[C@@H](CC2CCCCC2)C(=O)O)C(O)[C@H](CO)O[C@H]1OC1CC(C(=O)NCCN)C[C@@H](n2cc(-c3ccccc3)nn2)C1O[C@@H](C)OC(C)C(O)[C@H](O)CO

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ SELE P16581 14/20 0.46
▸ ADAMTS5 Q9UNA0 2/20 0.34
▸ ADAMTS4 O75173 1/20 0.34
▸ CA1 P00915 1/20 0.34
▸ CA2 P00918 1/20 0.34
▸ CA9 Q16790 1/20 0.34
▸ LGALS3 P17931 3/20 0.32
▸ LGALS9 O00182 1/20 0.32
▸ LGALS7; LGALS7B P47929 1/20 0.32
▸ LGALS1 P09382 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
SCHEMBL21993232 0.92 SELE (0.46) SELEADAMTS5ADAMTS4CA1CA2
SCHEMBL24092200 0.87 SELE (0.58) SELE
SCHEMBL21993228 0.87 SELE (0.50) SELEADAMTS5ADAMTS4CA1CA2
SCHEMBL24489403 0.87 SELE (0.58) SELE
SCHEMBL24092201 0.87 SELE (0.58) SELE
SCHEMBL24092205 0.87 SELE (0.41) SELEADAMTS5ADAMTS4CA1CA2
SCHEMBL21992408 0.86 SELE (0.46) SELEADAMTS5ADAMTS4CA1CA2
SCHEMBL21992409 0.81 SELE (0.50) SELEADAMTS5ADAMTS4CA1CA2
SCHEMBL24092214 0.81 SELE (0.58) SELE
SCHEMBL24489201 0.80 SELE (0.52) 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-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 1/4885ADAMTS5 1099/4885ADAMTS4 1201/4885

“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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