SCHEMBL25210256

SCHEMBL25210256

Cc1c(O)cc(O)c(C(=O)N2Cc3cccc(N)c3C2)c1OCC1CCCCC1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TRAP1 Q12931 4/20 0.36
HSP90B1 P14625 2/20 0.36
CCNA2 P20248 3/20 0.35
CDK2 P24941 3/20 0.35
HSP90AA1 P07900 3/20 0.35
HSP90AB1 P08238 2/20 0.35
PARP15 Q460N3 2/20 0.34
PARP10 Q53GL7 2/20 0.34
THRA P10827 2/20 0.34
THRB P10828 2/20 0.34
NAMPT P43490 2/20 0.34
CDK1 P06493 1/20 0.34
CCNB1 P14635 1/20 0.34
SPR P35270 1/20 0.33
GRM5 P41594 1/20 0.33
FABP4 P15090 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
SCHEMBL30377318 1.00 TRAP1 (0.36) TRAP1HSP90B1CCNA2CDK2HSP90AA1
SCHEMBL31281890 0.99 TRAP1 (0.36) TRAP1HSP90B1CCNA2CDK2HSP90AA1
SCHEMBL31281995 0.95 TRAP1 (0.38) TRAP1HSP90B1HSP90AA1HSP90AB1SPR
SCHEMBL31281933 0.92 SPR (0.35) CCNA2CDK2PARP15PARP10THRA
SCHEMBL31281765 0.88 TRAP1 (0.35) TRAP1HSP90B1HSP90AA1HSP90AB1THRA
SCHEMBL25599287 0.88 TRAP1 (0.35) TRAP1HSP90B1HSP90AA1HSP90AB1THRA
SCHEMBL31281889 0.86 TRAP1 (0.46) TRAP1HSP90B1HSP90AA1HSP90AB1SPR
SCHEMBL25599277 0.85 HSP90AA1 (0.39) TRAP1HSP90B1HSP90AA1HSP90AB1THRA
SCHEMBL31281713 0.84 PARP15 (0.36) HSP90B1HSP90AA1HSP90AB1PARP15PARP10
SCHEMBL25254449 0.83 NAMPT (0.35) TRAP1HSP90B1HSP90AA1HSP90AB1THRA

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
US-20240425453-A1 ISOINDOLINES AS PMS2 INHIBITORS CHARLES RIVER DISCOVERY RESEARCH SERVICES UK LIMITED (GB) 2024-12-26 US disclosed
WO-2023094834-A1 ISOINDOLINES AS PMS2 INHIBITORS Neophore Limited (GB) 2023-06-01 WO disclosed
WO-2023094834-A1 ISOINDOLINES AS PMS2 INHIBITORS Neophore Limited (GB) 2023-06-01 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-20240425453-A1 ISOINDOLINES AS PMS2 INHIBITORS PMS2, MSH2, RECQL TRAP1 1557/4885HSP90B1 2082/4885CCNA2 15/4885

“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.