SCHEMBL22247243

SCHEMBL22247243

COC(=O)C1CC(n2cc(-c3cccc(F)c3)nn2)C(O[C@@H]2OC(C)[C@@H](O)C(O)C2O)[C@H](O[C@@H]2OC(CO)[C@H](O)C(O[C@@H](CC3CCCCC3)C(=O)O)C2OC(=O)c2ccccc2)C1

nearest known ligand 0.59

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ SELE P16581 17/20 0.59
▸ SELP P16109 3/20 0.41

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
SCHEMBL14557942 1.00 SELE (0.59) SELESELP
SCHEMBL15839391 0.93 SELE (0.51) SELESELP
SCHEMBL22247226 0.92 SELE (0.54) SELESELP
SCHEMBL15839394 0.92 SELE (0.54) SELESELP
SCHEMBL22821431 0.91 SELE (0.53) SELESELP
SCHEMBL22821644 0.91 SELE (0.52) SELESELP
SCHEMBL22821246 0.90 SELE (0.55) SELESELP
SCHEMBL22821627 0.90 SELE (0.52) SELESELP
SCHEMBL22821337 0.90 SELE (0.54) SELESELP
SCHEMBL22821536 0.90 SELE (0.51) SELESELP

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11548908-B2 Heterobifunctional inhibitors of E-selectin and galectin-3 GLYCOMIMETICS, INC. (US) 2023-01-10 — — US disclosed
US-20200399301-A1 HETEROBIFUNCTIONAL INHIBITORS OF E-SELECTIN AND GALECTIN-3 GLYCOMIMETICS, INC. (US) 2020-12-24 — — US disclosed
WO-2020150263-A1 SELECTIN OR GALECTIN ANTAGONISTS FOR TREATING CYTOKINE RELEASE SYNDROME AND CRS-INDUCED NEUROTOXICITY MAGNANI JOHN L (US) 2020-07-23 — — WO 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-20200399301-A1 HETEROBIFUNCTIONAL INHIBITORS OF E-SELECTIN AND GALECTIN-3 LGALS3, LGALS3BP, LGALS1 SELE 5/4885SELP 10/4885
US-11548908-B2 Heterobifunctional inhibitors of E-selectin and galectin-3 LGALS3, LGALS3BP, LGALS1 SELE 5/4885SELP 10/4885

“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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