SCHEMBL20472138

SCHEMBL20472138

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LDHA P00338 1/20 0.45
▸ TDP1 Q9NUW8 2/20 0.44
▸ ACHE P22303 2/20 0.44
▸ ALDH1A1 P00352 2/20 0.43
▸ HTT P42858 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ PSEN1 P49768 1/20 0.43
▸ PSEN2 P49810 1/20 0.43
▸ APH1B Q8WW43 1/20 0.43
▸ NCSTN Q92542 1/20 0.43
▸ APH1A Q96BI3 1/20 0.43
▸ PSENEN Q9NZ42 1/20 0.43
▸ TAS2R14 Q9NYV8 2/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ BMP1 P13497 1/20 0.42
▸ APLNR P35414 1/20 0.41
▸ ALOX5 P09917 1/20 0.40
▸ BCHE P06276 1/20 0.40
▸ USP2 O75604 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
SCHEMBL15209900 0.85 LDHA (0.50) LDHATDP1ACHEALDH1A1HTT
SCHEMBL21741216 0.85 L3MBTL1 (0.41) LDHATDP1ACHEALDH1A1HTT
SCHEMBL29765181 0.85 L3MBTL1 (0.41) LDHATDP1ACHEALDH1A1HTT
SCHEMBL15209971 0.75 LDHA (0.49) LDHATDP1ACHEALDH1A1HTT
SCHEMBL3508311 0.75 ALDH1A1 (0.47) LDHATDP1ACHEALDH1A1HTT
SCHEMBL1458166 0.75 ALDH1A1 (0.47) LDHATDP1ACHEALDH1A1HTT
SCHEMBL15058845 0.75 ALDH1A1 (0.47) LDHATDP1ACHEALDH1A1HTT
SCHEMBL19284894 0.74 APLNR (0.54) TAS2R14APLNR
SCHEMBL19284895 0.74 APLNR (0.54) TAS2R14APLNR
SCHEMBL20471952 0.72 TSHR (0.48) LDHATDP1ACHEALDH1A1HTT

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 8 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-3580224-B1 ASK1 INHIBITING AGENTS BIOGEN MA INC (US) 2022-07-13 — — EP disclosed
US-11168095-B2 ASK1 inhibiting agents BIOGEN MA INC. (US) 2021-11-09 — — US disclosed
US-20210300946-A1 PYRIDINE MACROCYCLE COMPOUNDS AS ASK1 INHIBITING AGENTS BIOGEN MA INC. 2021-09-30 — — US disclosed
EP-3837265-A1 PYRIDINE MACROCYCLE COMPOUNDS AS ASK1 INHIBITING AGENTS Biogen MA Inc. (US) 2021-06-23 — — EP disclosed
WO-2020036946-A1 PYRIDINE MACROCYCLE COMPOUNDS AS ASK1 INHIBITING AGENTS BIOGEN MA INC. (US) 2020-02-20 — — WO disclosed
WO-2018148204-A1 ASK1 INHIBITING AGENTS BIOGEN MA INC. (US) 2018-08-16 — — 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 (3 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-11168095-B2 ASK1 inhibiting agents MAP3K1, MAP3K10, MAP3K20 LDHA 2925/4885TDP1 130/4885ACHE 3588/4885
US-11897898-B2 Pyridine macrocycle compounds as ASK1 inhibiting agents MAP3K1, MAP3K19, MAP3K20 LDHA 2346/4885TDP1 291/4885ACHE 4299/4885
US-20210300946-A1 PYRIDINE MACROCYCLE COMPOUNDS AS ASK1 INHIBITING AGENTS MAP3K1, MAP3K19, MAP3K20 LDHA 2346/4885TDP1 291/4885ACHE 4299/4885

“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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