SCHEMBL24489407

SCHEMBL24489407

CCC1C[C@H](C(=O)NCCNC(=O)CCCC(=O)O)C[C@@H](O[C@@H]2OC(CO)[C@H](O)C(O[C@@H](CC3CCCCC3)C(=O)O)C2NC(C)=O)C1O[C@@H]1OC(C)[C@@H](O)C(O)C1O

nearest known ligand 0.92

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ SELE P16581 19/20 0.92
▸ MDK P21741 1/20 0.36

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
SCHEMBL24489405 0.98 SELE (0.92) SELEMDK
SCHEMBL23943286 0.96 SELE (0.90) SELEMDK
SCHEMBL24489363 0.96 SELE (0.85) SELEMDK
SCHEMBL26824931 0.94 SELE (0.84) SELEMDK
SCHEMBL26260592 0.94 SELE (0.82) SELE
SCHEMBL22006658 0.94 SELE (0.84) SELE
SCHEMBL25562384 0.94 SELE (0.84) SELE
SCHEMBL21992358 0.93 SELE (0.85) SELE
SCHEMBL23943370 0.93 SELE (0.84) SELE
SCHEMBL25562417 0.93 SELE (0.82) SELEMDK

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 1/4885MDK 4316/4885

“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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