SCHEMBL13077626

SCHEMBL13077626

CC1OC(OC2C(NC(=O)c3cc(O)nc(O)n3)CC(C=O)CC2OC2OC(COC(=O)c3ccccc3)C(OC(=O)c3ccccc3)C(OCC(=O)O)C2OC(=O)c2ccccc2)C(O)=CC1O

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ SELE P16581 1/20 0.34
▸ PTPN1 P18031 1/20 0.31
▸ MEN1 O00255 1/20 0.30
▸ USP2 O75604 1/20 0.30
▸ POLB P06746 1/20 0.30
▸ KMT2A Q03164 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
SCHEMBL13657359 0.88 SELE (0.43) SELE
SCHEMBL13570045 0.85 SELE (0.43) SELE
SCHEMBL12240501 0.81 SELE (0.46) SELE
SCHEMBL13969719 0.80 SELE (0.51) SELE
SCHEMBL14823278 0.78 SELE (0.53) SELE
SCHEMBL13570046 0.76 SELE (0.33) SELE
SCHEMBL13969717 0.74 SELE (0.42) SELE
SCHEMBL15434743 0.72 SELE (0.40) SELEPTPN1
SCHEMBL3006760 0.71 SELE (0.57) SELE
SCHEMBL13312082 0.70 SELE (0.62) 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-20100279965-A1 HETEROBIFUNCTIONAL INHIBITORS OF E-SELECTINS AND CXCR4 CHEMOKINE RECEPTORS GLYCOMIMETICS, INC. (US) 2010-11-04 — — 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-20100279965-A1 HETEROBIFUNCTIONAL INHIBITORS OF E-SELECTINS AND CXCR4 CHEMOKINE RECEPTORS CXCL12, CXCR4, SELE SELE 3/4885PTPN1 1197/4885MEN1 3603/4885

“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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