SCHEMBL31281995

SCHEMBL31281995

Cc1c(O)cc(O)c(C(=O)N2Cc3cccc(N)c3C2)c1OCC1CC1

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TRAP1 Q12931 11/20 0.38
HSP90B1 P14625 6/20 0.38
HSP90AA1 P07900 7/20 0.36
HSP90AB1 P08238 4/20 0.36
SPR P35270 1/20 0.35
CXCR5 P32302 1/20 0.34
ACACB O00763 1/20 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
SCHEMBL31281890 0.96 TRAP1 (0.36) TRAP1HSP90B1HSP90AA1HSP90AB1SPR
SCHEMBL30377318 0.95 TRAP1 (0.36) TRAP1HSP90B1HSP90AA1HSP90AB1SPR
SCHEMBL25210256 0.95 TRAP1 (0.36) TRAP1HSP90B1HSP90AA1HSP90AB1SPR
SCHEMBL31281889 0.88 TRAP1 (0.46) TRAP1HSP90B1HSP90AA1HSP90AB1SPR
SCHEMBL31281933 0.87 SPR (0.35) SPR
SCHEMBL31282001 0.87 TRAP1 (0.36) TRAP1HSP90B1HSP90AA1HSP90AB1SPR
SCHEMBL25221414 0.85 TRAP1 (0.43) TRAP1HSP90B1HSP90AA1HSP90AB1SPR
SCHEMBL30377827 0.85 TRAP1 (0.43) TRAP1HSP90B1HSP90AA1HSP90AB1SPR
SCHEMBL25211589 0.85 TRAP1 (0.39) TRAP1HSP90B1HSP90AA1HSP90AB1SPR
SCHEMBL31282109 0.85 TRAP1 (0.38) TRAP1HSP90B1HSP90AA1HSP90AB1SPR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240425453-A1 ISOINDOLINES AS PMS2 INHIBITORS CHARLES RIVER DISCOVERY RESEARCH SERVICES UK LIMITED (GB) 2024-12-26 US 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 2082/4885HSP90AA1 2367/4885

“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.