SCHEMBL25964203

SCHEMBL25964203

CC(=O)OC1[C@H](OCC2O[C@@H](O[C@@H]3C(OCc4ccccc4)[C@H](OCCCN=[N+]=[N-])OC(COCc4ccccc4)[C@@H]3C)C(C)[C@@H](C)[C@@H]2O)OC(COCc2ccccc2)[C@@H](C)[C@@H]1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LGALS3 P17931 2/20 0.43
▸ TACR1 P25103 2/20 0.39
▸ NT5E P21589 1/20 0.36
▸ SELP P16109 1/20 0.36
▸ SSTR1 P30872 1/20 0.35
▸ SSTR2 P30874 1/20 0.35
▸ SSTR4 P31391 1/20 0.35
▸ SSTR3 P32745 1/20 0.35
▸ SSTR5 P35346 1/20 0.35
▸ PTPN1 P18031 5/20 0.35
▸ CDC25B P30305 4/20 0.35
▸ MCHR1 Q99705 2/20 0.35
▸ GJB2 P29033 1/20 0.34
▸ PTPN2 P17706 2/20 0.34
▸ CD209 Q9NNX6 1/20 0.34
▸ PTN P21246 1/20 0.34
▸ MDK P21741 1/20 0.34
▸ BDNF P23560 1/20 0.34
▸ PTPN6 P29350 1/20 0.34
▸ PTPN11 Q06124 1/20 0.34

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
SCHEMBL25964200 0.96 LGALS3 (0.41) LGALS3TACR1NT5ESELPSSTR1
SCHEMBL25964195 0.84 LGALS3 (0.46) LGALS3NT5ESSTR1SSTR2SSTR4
SCHEMBL19726148 0.84 CD209 (0.39) LGALS3TACR1NT5ESSTR1SSTR2
SCHEMBL25964309 0.84 LGALS3 (0.46) LGALS3TACR1NT5ESELPSSTR1
SCHEMBL19726154 0.84 CD209 (0.39) LGALS3TACR1NT5ESSTR1SSTR2
SCHEMBL18310592 0.84 LGALS3 (0.43) LGALS3TACR1NT5ESELPSSTR1
SCHEMBL22842843 0.83 LGALS3 (0.46) LGALS3TACR1NT5ESELPSSTR1
SCHEMBL25964186 0.83 LGALS3 (0.46) LGALS3TACR1NT5ESELPSSTR1
SCHEMBL25964150 0.83 LGALS3 (0.39) LGALS3TACR1NT5ESELPSSTR1
SCHEMBL13557611 0.81 LGALS3 (0.47) LGALS3TACR1SSTR1SSTR2SSTR4

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-20230248839-A1 IMMUNOGENIC COMPOSITIONS GSK VACCINES S.R.L. (IT) 2023-08-10 — — 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-20230248839-A1 IMMUNOGENIC COMPOSITIONS FCGR3B, B3GAT3, CD47 LGALS3 15/4885TACR1 4561/4885NT5E 1406/4885

“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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