SCHEMBL24107740

SCHEMBL24107740

[N-]=[N+]=NCCCCCO[C@H]1OC(COCc2ccccc2)[C@@H](OCc2ccccc2)C(OCc2ccccc2)C1O[C@H]1OC(COCc2ccccc2)[C@@H](OCc2ccccc2)C(OCc2ccccc2)C1O

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ LGALS3 P17931 2/20 0.49
▸ SSTR4 P31391 7/20 0.46
▸ SSTR1 P30872 6/20 0.46
▸ SSTR2 P30874 6/20 0.46
▸ SSTR3 P32745 6/20 0.46
▸ SSTR5 P35346 6/20 0.46
▸ GJB2 P29033 1/20 0.45
▸ TACR1 P25103 2/20 0.42
▸ ADRB2 P07550 1/20 0.42
▸ PTPN1 P18031 5/20 0.41
▸ CDC25B P30305 5/20 0.41
▸ PTPN2 P17706 2/20 0.40
▸ PTPN6 P29350 2/20 0.40
▸ PTPN11 Q06124 2/20 0.40

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
SCHEMBL29233702 0.90 LGALS3 (0.48) LGALS3SSTR4SSTR1SSTR2SSTR3
SCHEMBL31471789 0.87 SSTR1 (0.48) LGALS3SSTR4SSTR1SSTR2SSTR3
SCHEMBL24107858 0.87 NT5E (0.49) LGALS3SSTR4SSTR1SSTR2SSTR3
SCHEMBL21148461 0.86 SSTR1 (0.52) SSTR4SSTR1SSTR2SSTR3SSTR5
SCHEMBL24107810 0.85 LGALS3 (0.41) LGALS3SSTR4SSTR1SSTR2SSTR3
SCHEMBL24107758 0.84 NT5E (0.52) LGALS3SSTR4SSTR1SSTR2SSTR3
SCHEMBL24107871 0.84 LGALS3 (0.40) LGALS3SSTR4SSTR1SSTR2SSTR3
SCHEMBL23603391 0.84 LGALS3 (0.53) LGALS3SSTR4SSTR1SSTR2SSTR3
SCHEMBL25270558 0.84 LGALS3 (0.48) LGALS3SSTR4SSTR1SSTR2SSTR3
SCHEMBL20648775 0.84 LGALS3 (0.48) LGALS3SSTR4SSTR1SSTR2SSTR3

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-20210386845-A1 VACCINE AGAINST KLEBSIELLA PNEUMONIAE IDORSIA PHARMACEUTICALS LTD (CH) 2021-12-16 — — 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-20210386845-A1 VACCINE AGAINST KLEBSIELLA PNEUMONIAE UBXN1, MLX, UBXN4 LGALS3 92/4885SSTR4 4130/4885SSTR1 4640/4885

“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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