SCHEMBL30301702

SCHEMBL30301702

Cc1c(O)cc(O)c(C(=O)N2Cc3cccc(Br)c3C2)c1OCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TRAP1 Q12931 5/20 0.48
HSP90AA1 P07900 8/20 0.41
HSP90B1 P14625 3/20 0.40
ABHD6 Q9BV23 1/20 0.39
LMNA P02545 1/20 0.38
HPGD P15428 1/20 0.38
GLRA1 P23415 1/20 0.38
THRA P10827 2/20 0.38
THRB P10828 2/20 0.38
SPR P35270 1/20 0.38
HSP90AB1 P08238 3/20 0.37
AGTR2 P50052 1/20 0.36

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
SCHEMBL25669001 1.00 TRAP1 (0.48) TRAP1HSP90AA1HSP90B1ABHD6LMNA
SCHEMBL25669033 0.90 HSP90AA1 (0.48) TRAP1HSP90AA1HSP90B1LMNAHPGD
SCHEMBL30368189 0.90 HSP90AA1 (0.48) TRAP1HSP90AA1HSP90B1LMNAHPGD
SCHEMBL25243632 0.89 TRAP1 (0.41) TRAP1HSP90AA1HSP90B1LMNAHPGD
SCHEMBL30301767 0.89 TRAP1 (0.41) TRAP1HSP90AA1HSP90B1LMNAHPGD
SCHEMBL25211589 0.89 TRAP1 (0.39) TRAP1HSP90AA1HSP90B1LMNAHPGD
SCHEMBL30301754 0.89 TRAP1 (0.39) TRAP1HSP90AA1HSP90B1LMNAHPGD
SCHEMBL25214133 0.89 HSP90AA1 (0.41) TRAP1HSP90AA1HSP90B1LMNAHPGD
SCHEMBL30368666 0.89 HSP90AA1 (0.41) TRAP1HSP90AA1HSP90B1LMNAHPGD
SCHEMBL30301746 0.88 SLC6A9 (0.39) TRAP1HSP90AA1HSP90B1LMNAHPGD

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
CN-115996907-A Inhibitors of MLH1 and/or PMS2 for cancer treatment 奈奥芬莱有限公司 2023-04-21 CN claimed
US-12552758-B2 Inhibitors of MLH1 and/or PMS2 for cancer treatment Neophore Limited (GB) 2026-02-17 US disclosed
US-20230183197-A1 INHIBITORS OF MLH1 AND/OR PMS2 FOR CANCER TREATMENT Neophore Limited (GB) 2023-06-15 US disclosed
CN-115996907-A Inhibitors of MLH1 and/or PMS2 for cancer treatment 奈奥芬莱有限公司 2023-04-21 CN disclosed
EP-4157463-A1 INHIBITORS OF MLH1 AND/OR PMS2 FOR CANCER TREATMENT Neophore Limited (GB) 2023-04-05 EP 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 (2 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-12552758-B2 Inhibitors of MLH1 and/or PMS2 for cancer treatment MSH2, PMS2, MSH6 TRAP1 1861/4885HSP90AA1 2502/4885HSP90B1 3336/4885
US-20230183197-A1 INHIBITORS OF MLH1 AND/OR PMS2 FOR CANCER TREATMENT MSH2, PMS2, MSH6 TRAP1 1872/4885HSP90AA1 1915/4885HSP90B1 2130/4885

“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.