SCHEMBL22762154

SCHEMBL22762154

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nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LGALS1 P09382 2/20 0.42
LGALS3 P17931 2/20 0.42
LGALS9 O00182 1/20 0.42
LGALS8 O00214 1/20 0.42
ALDH1A1 P00352 2/20 0.39
TSHR P16473 2/20 0.39
LMNA P02545 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
PYGB P11216 2/20 0.37
GAA P10253 1/20 0.37
OGA O60502 5/20 0.36
HEXA P06865 1/20 0.36
HEXB P07686 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL21037780 1.00 LGALS1 (0.42) LGALS1LGALS3LGALS9LGALS8ALDH1A1
SCHEMBL22768244 0.93 ALDH1A1 (0.40) LGALS1LGALS3LGALS9LGALS8ALDH1A1
SCHEMBL12563251 0.84 LGALS1 (0.43) LGALS1LGALS3LGALS9LGALS8ALDH1A1
SCHEMBL13324374 0.84 LGALS1 (0.43) LGALS1LGALS3LGALS9LGALS8ALDH1A1
SCHEMBL13896454 0.84 LGALS1 (0.43) LGALS1LGALS3LGALS9LGALS8ALDH1A1
SCHEMBL29124797 0.84 LGALS1 (0.43) LGALS1LGALS3LGALS9LGALS8ALDH1A1
SCHEMBL14257099 0.84 LGALS1 (0.43) LGALS1LGALS3LGALS9LGALS8ALDH1A1
SCHEMBL16604340 0.84 LGALS1 (0.43) LGALS1LGALS3LGALS9LGALS8ALDH1A1
SCHEMBL17225751 0.84 LGALS1 (0.43) LGALS1LGALS3LGALS9LGALS8ALDH1A1
SCHEMBL25518939 0.84 LGALS1 (0.43) LGALS1LGALS3LGALS9LGALS8ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11518777-B2 Inhibitors of the shikimate pathway EBERHARD KARLS UNIVERSITÄT TÜBINGEN (DE) 2022-12-06 US disclosed
US-20200385416-A1 NOVEL INHIBITORS OF THE SHIKIMATE PATHWAY EBERHARD KARLS UNIVERSITÄT TÜBINGEN (DE) 2020-12-10 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 (2 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-20200385416-A1 NOVEL INHIBITORS OF THE SHIKIMATE PATHWAY HK1, HKDC1, TKT LGALS1 3303/4885LGALS3 3784/4885LGALS9 2925/4885
US-11518777-B2 Inhibitors of the shikimate pathway TKT, HK1, HKDC1 LGALS1 3347/4885LGALS3 3779/4885LGALS9 2706/4885

“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.