SCHEMBL25042872

SCHEMBL25042872

CN(Cc1ccc(C(=S)NNC(=O)OC(C)(C)C)cc1)C(=O)OC(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 2/20 0.45
▸ HDAC3 O15379 1/20 0.42
▸ HDAC1 Q13547 1/20 0.42
▸ HDAC2 Q92769 1/20 0.42
▸ NCOR2 Q9Y618 1/20 0.42
▸ CTSL P07711 1/20 0.41
▸ CTSB P07858 1/20 0.41
▸ CTSS P25774 1/20 0.41
▸ AKT1 P31749 2/20 0.38
▸ ALDH1A1 P00352 3/20 0.37
▸ PPARG P37231 1/20 0.36
▸ PPARA Q07869 1/20 0.36
▸ POLB P06746 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ CACNA1B Q00975 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ HTR2C P28335 1/20 0.35
▸ SLC6A4 P31645 1/20 0.35

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
SCHEMBL29243978 0.90 HDAC1 (0.45) HDAC3HDAC1HDAC2NCOR2CTSL
SCHEMBL25042862 0.87 HDAC1 (0.52) GAAHDAC3HDAC1HDAC2NCOR2
SCHEMBL30275273 0.85 HDAC1 (0.41) HDAC3HDAC1HDAC2NCOR2CTSL
SCHEMBL1935356 0.79 LOXL2 (0.49) GAAHDAC3HDAC1HDAC2NCOR2
SCHEMBL31725156 0.78 PYCR1 (0.49) HDAC3HDAC1HDAC2NCOR2CTSL
SCHEMBL1243793 0.78 HDAC1 (0.46) HDAC3HDAC1HDAC2NCOR2CTSL
SCHEMBL2229917 0.78 MTOR (0.48) HDAC3HDAC1HDAC2NCOR2CTSL
SCHEMBL2484830 0.78 HDAC1 (0.49) HDAC3HDAC1HDAC2NCOR2CTSL
SCHEMBL14829450 0.77 AOC3 (0.45) HDAC3HDAC1HDAC2NCOR2CTSL
SCHEMBL29244024 0.77 HDAC1 (0.55) GAAHDAC3HDAC1HDAC2NCOR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250026742-A1 COMPOUND AS ATR KINASE INHIBITOR SUZHOU ARK BIOPHARMACEUTICAL CO., LTD. (CN) 2025-01-23 — — US disclosed
CN-117794924-A Compounds useful as inhibitors of ATR kinase 苏州爱科百发生物医药技术有限公司 2024-03-29 — — CN disclosed
WO-2023016525-A1 COMPOUND AS ATR KINASE INHIBITOR 苏州爱科百发生物医药技术有限公司 2023-02-16 — — WO disclosed
WO-2023016525-A1 COMPOUND AS ATR KINASE INHIBITOR 苏州爱科百发生物医药技术有限公司 2023-02-16 — — 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 (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-20250026742-A1 COMPOUND AS ATR KINASE INHIBITOR ATR, CHEK2, CHEK1 GAA 1787/4885HDAC3 3077/4885HDAC1 2074/4885

“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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