SCHEMBL22425890

SCHEMBL22425890

COc1ccc(COC(C)[C@@H](C)NC(=O)OC(C)(C)C)cc1N

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 2/20 0.43
▸ ALDH1A1 P00352 2/20 0.39
▸ AAK1 Q2M2I8 6/20 0.39
▸ LMNA P02545 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.37
▸ MTNR1A P48039 1/20 0.37
▸ MTNR1B P49286 1/20 0.37
▸ PPARA Q07869 3/20 0.37
▸ ITGA4 P13612 1/20 0.37
▸ ITGB7 P26010 1/20 0.37
▸ CTSS P25774 1/20 0.36
▸ CTSK P43235 1/20 0.36
▸ PPARG P37231 2/20 0.36
▸ CA2 P00918 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
SCHEMBL22425886 1.00 GAA (0.43) GAAALDH1A1AAK1LMNAHTT
SCHEMBL22425936 0.82 GAA (0.43) GAAALDH1A1AAK1LMNAHTT
SCHEMBL22425939 0.82 PPARA (0.47) GAAALDH1A1AAK1LMNAHTT
SCHEMBL22425737 0.82 PPARA (0.47) GAAALDH1A1AAK1LMNAHTT
SCHEMBL22425744 0.82 PPARA (0.47) GAAALDH1A1AAK1LMNAHTT
SCHEMBL18928696 0.77 ITGA4 (0.56) PPARAITGA4ITGB7CTSSCTSK
SCHEMBL22425988 0.76 GAA (0.41) GAAALDH1A1AAK1LMNAHTT
SCHEMBL22412145 0.76 GAA (0.41) GAAALDH1A1AAK1LMNAHTT
SCHEMBL31172068 0.76 GAA (0.41) GAAALDH1A1AAK1LMNAHTT
SCHEMBL6681923 0.75 ALDH1A1 (0.52) GAAALDH1A1LMNAHTTL3MBTL1

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-20220177486-A1 TYK2 INHIBITORS AND USES THEREOF ALUMIS INC. 2022-06-09 — — US disclosed
WO-2020185755-A1 TYK2 INHIBITORS AND USES THEREOF FRONTHERA U.S. PHARMACEUTICALS LLC (US) 2020-09-17 — — WO 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-20220177486-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK1, JAK2 GAA 3318/4885ALDH1A1 4098/4885AAK1 92/4885

“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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