SCHEMBL30970481

SCHEMBL30970481

C=CC(=O)N(C)c1cccc2c1CN(C(=O)c1c(O)cc(O)c(C)c1OC)C2

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TRAP1 Q12931 10/20 0.38
HSP90B1 P14625 6/20 0.38
SPR P35270 1/20 0.34
HSP90AA1 P07900 5/20 0.33
KRAS P01116 5/20 0.33
HSP90AB1 P08238 2/20 0.33

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
SCHEMBL25216773 1.00 TRAP1 (0.38) TRAP1HSP90B1SPRHSP90AA1KRAS
SCHEMBL31335781 0.89 TRAP1 (0.39) TRAP1HSP90B1SPRHSP90AA1HSP90AB1
SCHEMBL30378186 0.87 TRAP1 (0.36) TRAP1HSP90B1SPRHSP90AA1KRAS
SCHEMBL25267660 0.87 TRAP1 (0.36) TRAP1HSP90B1SPRHSP90AA1KRAS
SCHEMBL31335618 0.85 SPR (0.39) TRAP1HSP90B1SPRHSP90AA1KRAS
SCHEMBL31335751 0.85 TRAP1 (0.40) TRAP1HSP90B1SPRKRAS
SCHEMBL31335962 0.83 TRAP1 (0.41) TRAP1HSP90B1SPRHSP90AA1HSP90AB1
SCHEMBL31335695 0.80 TRAP1 (0.40) TRAP1HSP90B1SPRKRAS
SCHEMBL31335555 0.80 SPR (0.39) TRAP1HSP90B1SPRHSP90AA1HSP90AB1
SCHEMBL31335788 0.80 TRAP1 (0.48) TRAP1HSP90B1HSP90AA1HSP90AB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118317949-A Isoindolines as PMS2 inhibitors 奈奥芬莱有限公司 2024-07-09 CN claimed
US-20240425453-A1 ISOINDOLINES AS PMS2 INHIBITORS CHARLES RIVER DISCOVERY RESEARCH SERVICES UK LIMITED (GB) 2024-12-26 US disclosed
CN-118317949-A Isoindolines as PMS2 inhibitors 奈奥芬莱有限公司 2024-07-09 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-20240425453-A1 ISOINDOLINES AS PMS2 INHIBITORS PMS2, MSH2, RECQL TRAP1 1557/4885HSP90B1 2082/4885SPR 1174/4885

“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.