SCHEMBL21741216

SCHEMBL21741216

COc1ccc(CN(C(=O)OC(C)(C)C)C(C)CCCO)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 2/20 0.41
▸ PSEN1 P49768 1/20 0.39
▸ PSEN2 P49810 1/20 0.39
▸ APH1B Q8WW43 1/20 0.39
▸ NCSTN Q92542 1/20 0.39
▸ APH1A Q96BI3 1/20 0.39
▸ PSENEN Q9NZ42 1/20 0.39
▸ ALDH1A1 P00352 3/20 0.39
▸ HTT P42858 2/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ NR1D1 P20393 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.37
▸ LDHA P00338 1/20 0.37
▸ CACNA1B Q00975 1/20 0.37
▸ ACHE P22303 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ BCHE P06276 1/20 0.36
▸ USP2 O75604 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
SCHEMBL29765181 1.00 L3MBTL1 (0.41) L3MBTL1PSEN1PSEN2APH1BNCSTN
SCHEMBL20472138 0.85 LDHA (0.45) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL25609121 0.84 ALDH1A1 (0.41) L3MBTL1PSEN1PSEN2APH1BNCSTN
SCHEMBL24291657 0.81 ALDH1A1 (0.43) L3MBTL1PSEN1PSEN2APH1BNCSTN
SCHEMBL8893537 0.78 LDHA (0.44) L3MBTL1PSEN1PSEN2APH1BNCSTN
SCHEMBL29765130 0.78 APLNR (0.36) L3MBTL1PSEN1PSEN2APH1BNCSTN
SCHEMBL24610154 0.78 APLNR (0.36) L3MBTL1PSEN1PSEN2APH1BNCSTN
SCHEMBL25448644 0.78 HTT (0.49) L3MBTL1ALDH1A1HTTSMN1; SMN2NR1D1
SCHEMBL30574610 0.78 L3MBTL1 (0.46) L3MBTL1ALDH1A1HTTSMN1; SMN2NR1D1
SCHEMBL10519344 0.77 LDHA (0.43) L3MBTL1ALDH1A1HTTSMN1; SMN2NR1D1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11897898-B2 Pyridine macrocycle compounds as ASK1 inhibiting agents BIOGEN MA INC. (US) 2024-02-13 — — US disclosed
EP-3837265-B1 PYRIDINE MACROCYCLE COMPOUNDS AS ASK1 INHIBITING AGENTS BIOGEN MA INC (US) 2023-02-22 — — EP disclosed
EP-3837265-B1 PYRIDINE MACROCYCLE COMPOUNDS AS ASK1 INHIBITING AGENTS BIOGEN MA INC (US) 2023-02-22 — — EP disclosed
EP-3580224-B1 ASK1 INHIBITING AGENTS BIOGEN MA INC (US) 2022-07-13 — — EP disclosed
WO-2020036946-A1 PYRIDINE MACROCYCLE COMPOUNDS AS ASK1 INHIBITING AGENTS BIOGEN MA INC. (US) 2020-02-20 — — 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-11897898-B2 Pyridine macrocycle compounds as ASK1 inhibiting agents MAP3K1, MAP3K19, MAP3K20 L3MBTL1 318/4885PSEN1 1848/4885PSEN2 2743/4885

“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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