SCHEMBL22431361

SCHEMBL22431361

CC[C@@H]1OC(CO)[C@@H](O)C(O)C1NC(C)=O

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.58
▸ THRB P10828 1/20 0.58
▸ MAPK1 P28482 2/20 0.56
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ PYGB P11216 3/20 0.47
▸ GAA P10253 1/20 0.47
▸ CD69 Q07108 1/20 0.46
▸ KDM4E B2RXH2 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ CYP2D6 P10635 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ CA1 P00915 1/20 0.43
▸ CA2 P00918 1/20 0.43
▸ CA9 Q16790 1/20 0.43
▸ OGA O60502 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
SCHEMBL18573708 1.00 ALDH1A1 (0.58) ALDH1A1THRBMAPK1SMN1; SMN2PYGB
SCHEMBL18735615 1.00 ALDH1A1 (0.58) ALDH1A1THRBMAPK1SMN1; SMN2PYGB
SCHEMBL20842452 1.00 ALDH1A1 (0.58) ALDH1A1THRBMAPK1SMN1; SMN2PYGB
SCHEMBL17771655 0.91 ALDH1A1 (0.58) ALDH1A1THRBMAPK1SMN1; SMN2PYGB
SCHEMBL12936319 0.91 ALDH1A1 (0.58) ALDH1A1THRBMAPK1SMN1; SMN2PYGB
SCHEMBL23735602 0.87 MAPK1 (0.56) ALDH1A1THRBMAPK1SMN1; SMN2PYGB
SCHEMBL14473245 0.87 ALDH1A1 (0.46) ALDH1A1THRBMAPK1SMN1; SMN2PYGB
SCHEMBL16393013 0.87 ALDH1A1 (0.55) ALDH1A1THRBMAPK1SMN1; SMN2PYGB
SCHEMBL23640116 0.85 CD69 (0.58) ALDH1A1THRBMAPK1SMN1; SMN2CD69
SCHEMBL23640154 0.85 CD69 (0.58) ALDH1A1THRBMAPK1SMN1; SMN2CD69

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11739122-B2 Glycopeptide antibiotic compounds, methods for producing the same, and uses thereof ACADEMIA SINICA (TW) 2023-08-29 — — US disclosed
US-20220169790-A1 CARBOHYDRATE LIGANDS THAT BIND TO ANTIBODIES AGAINST GLYCOEPITOPES OF GLYCOSPHINGOLIPIDS UNIV BASEL (CH) 2022-06-02 — — US disclosed
US-20210198284-A1 GOLD COMPOSITIONS AND METHODS OF USE THEREOF UNIVERSITY OF MASSACHUSETTS 2021-07-01 — — US disclosed
US-20200291071-A1 GLYCOPEPTIDE COMPOUNDS, METHODS FOR PRODUCING THE SAME, AND USES THEREOF ACADEMIA SINICA (TW) 2020-09-17 — — 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 (4 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-20210198284-A1 GOLD COMPOSITIONS AND METHODS OF USE THEREOF LSS, LGALS7; LGALS7B, LGALS3 ALDH1A1 493/4885THRB 4449/4885MAPK1 4566/4885
US-20200291071-A1 GLYCOPEPTIDE COMPOUNDS, METHODS FOR PRODUCING THE SAME, AND USES THEREOF B3GAT3, MGAM, GALNT14 ALDH1A1 3371/4885THRB 2039/4885MAPK1 3577/4885
US-11739122-B2 Glycopeptide antibiotic compounds, methods for producing the same, and uses thereof NGLY1, NRDC, MGAT3 ALDH1A1 3782/4885THRB 128/4885MAPK1 2346/4885
US-20220169790-A1 CARBOHYDRATE LIGANDS THAT BIND TO ANTIBODIES AGAINST GLYCOEPITOPES OF GLYCOSPHINGOLIPIDS SIGLEC7, GALC, GBA1 ALDH1A1 2449/4885THRB 2336/4885MAPK1 3057/4885

“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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