SCHEMBL25924399

SCHEMBL25924399

CC(=O)N[C@H]1[C@@H](O[C@H]2C(O)[C@@H](NC(C)=O)[C@H](O)O[C@@H]2COS(=O)(=O)O)O[C@H](CO)[C@@H](O[C@@H]2O[C@@H](CO)[C@@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3N)C(O)[C@H]2NC(C)=O)[C@@H]1O

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ LGALS3 P17931 6/20 0.47
▸ LGALS8 O00214 1/20 0.47
▸ LGALS4 P56470 1/20 0.47
▸ CD69 Q07108 1/20 0.47
▸ CHIA Q9BZP6 1/20 0.45
▸ BLM P54132 1/20 0.44
▸ RECQL P46063 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ MAPK1 P28482 2/20 0.43
▸ ALDH1A1 P00352 1/20 0.41
▸ THRB P10828 1/20 0.41
▸ HPSE Q9Y251 2/20 0.41
▸ LGALS1 P09382 1/20 0.41
▸ LGALS7; LGALS7B P47929 1/20 0.41
▸ BMP2 P12643 1/20 0.40
▸ VEGFA P15692 1/20 0.40
▸ CXCL12 P48061 1/20 0.40
▸ SHH Q15465 1/20 0.40
▸ LGALS9 O00182 1/20 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
SCHEMBL20390690 1.00 LGALS3 (0.47) LGALS3LGALS8LGALS4CD69CHIA
SCHEMBL14597949 1.00 LGALS3 (0.47) LGALS3LGALS8LGALS4CD69CHIA
SCHEMBL9906079 1.00 LGALS3 (0.47) LGALS3LGALS8LGALS4CD69CHIA
SCHEMBL16433860 1.00 LGALS3 (0.47) LGALS3LGALS8LGALS4CD69CHIA
SCHEMBL18024607 1.00 LGALS3 (0.47) LGALS3LGALS8LGALS4CD69CHIA
SCHEMBL18202527 1.00 LGALS3 (0.47) LGALS3LGALS8LGALS4CD69CHIA
SCHEMBL16802126 1.00 LGALS3 (0.47) LGALS3LGALS8LGALS4CD69CHIA
SCHEMBL16623683 1.00 LGALS3 (0.47) LGALS3LGALS8LGALS4CD69CHIA
SCHEMBL20390684 0.93 CD69 (0.53) LGALS3LGALS8LGALS4CD69CHIA
SCHEMBL20390670 0.93 CD69 (0.53) LGALS3LGALS8LGALS4CD69CHIA

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-11716994-B2 Combinations of Yersinia entomophaga and pesticides or other substances NOVOZYMES BIOAG A/S (DK) 2023-08-08 — — 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-11716994-B2 Combinations of Yersinia entomophaga and pesticides or other substances TRHDE, MLNR, DDT LGALS3 1841/4885LGALS8 1121/4885LGALS4 961/4885

“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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