SCHEMBL20648775

SCHEMBL20648775

[N-]=[N+]=NCCCO[C@@H]1OC(COCc2ccccc2)[C@H](O)C(O)C1OCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ LGALS3 P17931 2/20 0.48
▸ GJB2 P29033 1/20 0.43
▸ SLC6A2 P23975 2/20 0.42
▸ CD209 Q9NNX6 1/20 0.41
▸ SSTR1 P30872 1/20 0.40
▸ SSTR2 P30874 1/20 0.40
▸ SSTR4 P31391 1/20 0.40
▸ SSTR3 P32745 1/20 0.40
▸ SSTR5 P35346 1/20 0.40
▸ PTPN1 P18031 7/20 0.40
▸ CDC25B P30305 7/20 0.40
▸ PTPN2 P17706 3/20 0.40
▸ PTPN6 P29350 3/20 0.40
▸ PTPN11 Q06124 3/20 0.40
▸ NT5E P21589 1/20 0.39
▸ TACR1 P25103 1/20 0.39

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
SCHEMBL25270558 1.00 LGALS3 (0.48) LGALS3GJB2SLC6A2CD209SSTR1
SCHEMBL19682250 0.91 CD209 (0.45) LGALS3GJB2SLC6A2CD209SSTR1
SCHEMBL29233702 0.90 LGALS3 (0.48) LGALS3GJB2SSTR1SSTR2SSTR4
SCHEMBL21258926 0.88 CD209 (0.45) LGALS3GJB2SLC6A2CD209SSTR1
SCHEMBL25964186 0.87 LGALS3 (0.46) LGALS3GJB2SSTR1SSTR2SSTR4
SCHEMBL22842843 0.87 LGALS3 (0.46) LGALS3GJB2SSTR1SSTR2SSTR4
SCHEMBL13557611 0.86 LGALS3 (0.47) LGALS3GJB2SLC6A2CD209SSTR1
SCHEMBL25964138 0.86 LGALS3 (0.44) LGALS3GJB2SSTR1SSTR2SSTR4
SCHEMBL21149838 0.85 LGALS3 (0.47) LGALS3GJB2SLC6A2CD209SSTR1
SCHEMBL13557604 0.85 CD209 (0.47) LGALS3GJB2SLC6A2CD209SSTR1

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-20230192745-A1 NOVEL INTERMEDIATES FOR THE PREPARATION OF GBS POLYSACCHARIDE ANTIGENS GLAXOSMITHKLINE BIOLOGICALS SA (BE) 2023-06-22 — — US disclosed
WO-2019012476-A1 NOVEL INTERMEDIATES FOR THE PREPARATION OF GBS POLYSACCHARIDE ANTIGENS GLAXOSMITHKLINE BIOLOGICALS SA (BE) 2019-01-17 — — 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-20230192745-A1 NOVEL INTERMEDIATES FOR THE PREPARATION OF GBS POLYSACCHARIDE ANTIGENS CSGALNACT1, B3GAT3, ST3GAL3 LGALS3 25/4885GJB2 3964/4885SLC6A2 4854/4885

“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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