SCHEMBL31471789

SCHEMBL31471789

[N-]=[N+]=NCCCO[C@@H]1O[C@H](COCc2ccccc2)[C@@H](O[C@@H]2O[C@H](COCc3ccccc3)[C@H](O[C@H]3O[C@H](COCc4ccccc4)[C@H](OCc4ccccc4)[C@H](OCc4ccccc4)[C@H]3OCc3ccccc3)[C@H](OCc3ccccc3)[C@H]2OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ SSTR1 P30872 6/20 0.48
▸ SSTR2 P30874 6/20 0.48
▸ SSTR4 P31391 6/20 0.48
▸ SSTR3 P32745 6/20 0.48
▸ SSTR5 P35346 6/20 0.48
▸ PTPN1 P18031 6/20 0.45
▸ CDC25B P30305 5/20 0.45
▸ PTPN2 P17706 3/20 0.44
▸ PTPN11 Q06124 3/20 0.44
▸ LGALS3 P17931 2/20 0.44
▸ ADRB2 P07550 1/20 0.44
▸ TACR1 P25103 1/20 0.44
▸ PTPN6 P29350 2/20 0.43
▸ GJB2 P29033 1/20 0.43
▸ NT5E P21589 1/20 0.43

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
SCHEMBL25964302 0.89 SSTR1 (0.41) SSTR1SSTR2SSTR4SSTR3SSTR5
SCHEMBL25964309 0.87 LGALS3 (0.46) SSTR1SSTR2SSTR4SSTR3SSTR5
SCHEMBL24107740 0.87 LGALS3 (0.49) SSTR1SSTR2SSTR4SSTR3SSTR5
SCHEMBL29233702 0.87 LGALS3 (0.48) SSTR1SSTR2SSTR4SSTR3SSTR5
SCHEMBL13557611 0.85 LGALS3 (0.47) SSTR1SSTR2SSTR4SSTR3SSTR5
SCHEMBL13557582 0.85 SSTR1 (0.41) SSTR1SSTR2SSTR4SSTR3SSTR5
SCHEMBL20648775 0.85 LGALS3 (0.48) SSTR1SSTR2SSTR4SSTR3SSTR5
SCHEMBL25270558 0.85 LGALS3 (0.48) SSTR1SSTR2SSTR4SSTR3SSTR5
SCHEMBL25964138 0.85 LGALS3 (0.44) SSTR1SSTR2SSTR4SSTR3SSTR5
SCHEMBL24107858 0.84 NT5E (0.49) SSTR1SSTR2SSTR4SSTR3SSTR5

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-20250114448-A1 SAPONIN-BASED ADJUVANTS AND VACCINES ASOCIACION CENTRO DE INVESTIG COOPERATIVA EN BIOCIENCIAS CIC BIOGUNE (ES) 2025-04-10 — — 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-20250114448-A1 SAPONIN-BASED ADJUVANTS AND VACCINES STT3A, STT3B, DDOST SSTR1 3644/4885SSTR2 3796/4885SSTR4 3216/4885

“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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