SCHEMBL24900073

SCHEMBL24900073

COC(=O)c1ccc2nc(S)n(CC3CCCO3)c2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 9/20 0.52
▸ MAPK1 P28482 1/20 0.52
▸ KMT2A Q03164 4/20 0.47
▸ GAA P10253 4/20 0.47
▸ MAPT P10636 3/20 0.47
▸ RAB9A P51151 3/20 0.47
▸ MEN1 O00255 3/20 0.47
▸ NPSR1 Q6W5P4 2/20 0.47
▸ TSHR P16473 1/20 0.47
▸ ESR1 P03372 1/20 0.47
▸ KDM4E B2RXH2 2/20 0.43
▸ ACSS2 Q9NR19 1/20 0.43
▸ TDP1 Q9NUW8 2/20 0.43
▸ NPC1 O15118 2/20 0.43
▸ GLA P06280 1/20 0.43
▸ RCE1 Q9Y256 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ LMNA P02545 1/20 0.42
▸ POLB P06746 1/20 0.42
▸ PKM P14618 1/20 0.42

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
SCHEMBL24900074 1.00 ALDH1A1 (0.52) ALDH1A1MAPK1KMT2AGAAMAPT
SCHEMBL30020881 1.00 ALDH1A1 (0.52) ALDH1A1MAPK1KMT2AGAAMAPT
SCHEMBL30021048 1.00 ALDH1A1 (0.52) ALDH1A1MAPK1KMT2AGAAMAPT
SCHEMBL24900216 0.95 ALDH1A1 (0.46) ALDH1A1MAPK1KMT2AGAAMAPT
SCHEMBL30020631 0.95 ALDH1A1 (0.46) ALDH1A1MAPK1KMT2AGAAMAPT
SCHEMBL24900218 0.95 ALDH1A1 (0.46) ALDH1A1MAPK1KMT2AGAAMAPT
SCHEMBL28935420 0.87 PTGER4 (0.49) ALDH1A1TSHR
SCHEMBL28935425 0.87 PTGER4 (0.49) ALDH1A1TSHR
SCHEMBL23458757 0.86 ALDH1A1 (0.51) ALDH1A1MAPK1KMT2AGAAMAPT
SCHEMBL23458756 0.86 ALDH1A1 (0.51) ALDH1A1MAPK1KMT2AGAAMAPT

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
CN-115279750-B GLP-1 receptor agonist, pharmaceutical composition containing same and preparation method thereof 株式会社LG化学 2024-06-21 — — CN disclosed
US-20230203021-A1 GLP-1 RECEPTOR AGONIST, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND METHOD FOR PREPARING SAME LG CHEM, LTD. (KR) 2023-06-29 — — US disclosed
EP-4119555-A1 GLP-1 RECEPTOR AGONIST, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND METHOD FOR PREPARING SAME Lg Chem, Ltd. (KR) 2023-01-18 — — EP disclosed
CN-115279750-A GLP-1 receptor agonist, pharmaceutical composition containing same and preparation method thereof 株式会社LG化学 2022-11-01 — — CN 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-20230203021-A1 GLP-1 RECEPTOR AGONIST, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND METHOD FOR PREPARING SAME GLP1R, GIPR, GPR119 ALDH1A1 3698/4885MAPK1 473/4885KMT2A 1970/4885

“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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