SCHEMBL30540623

SCHEMBL30540623

C=Cc1cc(C(=O)O)nc2cc[nH]c12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KEAP1 Q14145 1/20 0.35
▸ ALOX15 P16050 4/20 0.34
▸ TSHR P16473 2/20 0.34
▸ HIF1A Q16665 1/20 0.34
▸ MGAM O43451 1/20 0.33
▸ ALDH1A1 P00352 3/20 0.33
▸ HPGD P15428 2/20 0.33
▸ HSD17B10 Q99714 2/20 0.33
▸ KDM4E B2RXH2 2/20 0.32
▸ ENPP2 Q13822 1/20 0.32
▸ ACMSD Q8TDX5 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ KMO O15229 1/20 0.31
▸ BACE1 P56817 1/20 0.31
▸ ESRRB O95718 1/20 0.31
▸ ESR1 P03372 1/20 0.31
▸ ESRRA P11474 1/20 0.31
▸ ESR2 Q92731 1/20 0.31
▸ JAK3 P52333 1/20 0.30
▸ HCAR2 Q8TDS4 1/20 0.30

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
Lithium SCHEMBL31115355 0.98 KEAP1 (0.34) KEAP1ALOX15TSHRHIF1AMGAM
SCHEMBL30540492 0.87 PDPK1 (0.36) —
Lithium Ion SCHEMBL30540604 0.85 JAK3 (0.32) JAK3
SCHEMBL30540544 0.83 MAPK1 (0.37) ALOX15ALDH1A1HPGDHSD17B10KDM4E
SCHEMBL30540593 0.76 KMO (0.42) KEAP1ALOX15TSHRHIF1AMGAM
SCHEMBL30540478 0.73 GRM2 (0.39) —
SCHEMBL30540619 0.71 NQO1 (0.33) —
SCHEMBL30577623 0.70 MAPK1 (0.38) ALDH1A1HPGDHSD17B10KDM4E
SCHEMBL19925369 0.66 IGFBP5 (0.40) IGFBP3IGFBP5
SCHEMBL25349795 0.65 CD38 (0.34) ALOX15ALDH1A1HPGDHSD17B10KDM4E

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-20250163047-A1 HETEROCYCLIC COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH BEIGENE, LTD. (KY) 2025-05-22 — — US disclosed
EP-4476219-A1 HETEROCYCLIC COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH BeiGene, Ltd. (KY) 2024-12-18 — — EP disclosed
CN-118696043-A Heterocyclic compounds, compositions thereof and methods of treatment therewith 百济神州有限公司 2024-09-24 — — CN disclosed
WO-2023151641-A1 HETEROCYCLIC COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH BEIGENE , LTD. (KY) 2023-08-17 — — WO disclosed
WO-2023151636-A1 HETEROCYCLIC COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH BEIGENE , LTD. (KY) 2023-08-17 — — 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-20250163047-A1 HETEROCYCLIC COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH NFATC1, GZMB, IFNG KEAP1 93/4885ALOX15 242/4885TSHR 3786/4885

“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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