SCHEMBL21724005

SCHEMBL21724005

COc1ccc(CN(C(=O)OC(C)(C)C)C(C)CCCOc2ncc(C(F)(F)F)cc2C(=O)O)cc1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ RXRA P19793 4/20 0.36
▸ NR1H2 P55055 4/20 0.36
▸ SLC2A1 P11166 2/20 0.36
▸ FFAR1 O14842 1/20 0.35
▸ TRPM8 Q7Z2W7 1/20 0.35
▸ LTB4R2 Q9NPC1 1/20 0.35
▸ CXCR3 P49682 1/20 0.35
▸ L3MBTL1 Q9Y468 2/20 0.35
▸ LIPE Q05469 1/20 0.35
▸ MLYCD O95822 1/20 0.35
▸ NR1H3 Q13133 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34

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
SCHEMBL21724002 0.93 LMNA (0.40) LMNASMN1; SMN2RXRANR1H2SLC2A1
SCHEMBL21724004 0.88 L3MBTL1 (0.35) SLC2A1TRPM8LTB4R2L3MBTL1NR1H3
SCHEMBL21723770 0.81 CNR2 (0.35) LMNASMN1; SMN2SLC2A1L3MBTL1MEN1
SCHEMBL29765181 0.75 L3MBTL1 (0.41) SMN1; SMN2L3MBTL1MEN1KMT2A
SCHEMBL21741216 0.75 L3MBTL1 (0.41) SMN1; SMN2L3MBTL1MEN1KMT2A
SCHEMBL24610154 0.73 APLNR (0.36) SLC2A1L3MBTL1MEN1KMT2A
SCHEMBL29765130 0.73 APLNR (0.36) SLC2A1L3MBTL1MEN1KMT2A
SCHEMBL14731889 0.69 TMEM97 (0.58) LMNA
SCHEMBL24291657 0.67 ALDH1A1 (0.43) SMN1; SMN2L3MBTL1MEN1KMT2A
SCHEMBL21723771 0.67 KMT2A (0.35) LMNASMN1; SMN2MEN1KMT2A

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 7 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
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-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 (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-11897898-B2 Pyridine macrocycle compounds as ASK1 inhibiting agents MAP3K1, MAP3K19, MAP3K20 LMNA 1313/4885SMN1; SMN2 1085/4885RXRA 2448/4885
US-20210300946-A1 PYRIDINE MACROCYCLE COMPOUNDS AS ASK1 INHIBITING AGENTS MAP3K1, MAP3K19, MAP3K20 LMNA 1313/4885SMN1; SMN2 1085/4885RXRA 2448/4885

“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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