SCHEMBL22247259

SCHEMBL22247259

COC(=O)C1CC(NC(=O)c2cc(=O)[nH]c(=O)[nH]2)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)C2NC(=O)CN)C1

nearest known ligand 0.72

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ SELE P16581 19/20 0.72
▸ FGF1 P05230 1/20 0.30
▸ FGF2 P09038 1/20 0.30
▸ VEGFA P15692 1/20 0.30
▸ HPSE Q9Y251 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
SCHEMBL22247293 0.95 SELE (0.68) SELE
SCHEMBL22247261 0.95 SELE (0.72) SELE
SCHEMBL22247270 0.93 SELE (0.66) SELE
SCHEMBL22247257 0.93 SELE (0.65) SELE
SCHEMBL22247381 0.92 SELE (0.61) SELEFGF1FGF2VEGFAHPSE
SCHEMBL24621682 0.92 SELE (0.61) SELE
SCHEMBL22247248 0.91 SELE (0.68) SELE
SCHEMBL24621684 0.89 SELE (0.81) SELE
SCHEMBL24621727 0.87 SELE (0.85) SELE
SCHEMBL24621728 0.87 SELE (0.85) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220220144-A1 MULTIMERIC PAN-SELECTIN ANTAGONISTS GLYCOMIMETICS, INC. (US) 2022-07-14 — — 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 (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-20220220144-A1 MULTIMERIC PAN-SELECTIN ANTAGONISTS SELE, SELP, BSG SELE 1/4885FGF1 2674/4885FGF2 2454/4885

“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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