SCHEMBL25248403

SCHEMBL25248403

Cc1ccc(S(=O)(=O)Oc2cc(OS(=O)(=O)c3ccc(C)cc3)c(C(=O)N3Cc4ccc(CN5CCN(C)CC5)cc4C3)c(OCC3CCCCC3)c2C)cc1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 2/20 0.40
HSP90AB1 P08238 2/20 0.40
HSP90B1 P14625 1/20 0.39
BDKRB1 P46663 5/20 0.37
MCHR1 Q99705 3/20 0.35
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
STAT3 P40763 1/20 0.34
CD4 P01730 2/20 0.34
ACACB O00763 2/20 0.34
ROCK1 Q13464 2/20 0.34
F2 P00734 1/20 0.33
L3MBTL1 Q9Y468 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
SCHEMBL25221649 0.96 HSP90AA1 (0.42) HSP90AA1HSP90AB1HSP90B1BDKRB1MCHR1
SCHEMBL30301765 0.89 HSP90AA1 (0.46) HSP90AA1HSP90AB1HSP90B1BDKRB1KDM4E
SCHEMBL30301742 0.88 HSP90AA1 (0.45) HSP90AA1HSP90AB1HSP90B1KDM4EALDH1A1
SCHEMBL30462427 0.88 ALDH1A1 (0.33) BDKRB1MCHR1KDM4EALDH1A1F2
SCHEMBL25234807 0.88 ALDH1A1 (0.33) BDKRB1MCHR1KDM4EALDH1A1F2
SCHEMBL25214972 0.86 QRFPR (0.42) ALDH1A1CD4ACACB
SCHEMBL25228227 0.83 BDKRB1 (0.35) HSP90AA1HSP90AB1BDKRB1
SCHEMBL29263207 0.81 LMNA (0.40) HSP90AA1HSP90AB1KDM4EALDH1A1STAT3
SCHEMBL30301590 0.81 HSP90AA1 (0.54) HSP90AA1HSP90AB1HSP90B1MCHR1ALDH1A1
SCHEMBL25212540 0.80 F2 (0.36) CD4F2

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-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
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 HSP90AA1 2502/4885HSP90AB1 1847/4885HSP90B1 3336/4885
US-20230183197-A1 INHIBITORS OF MLH1 AND/OR PMS2 FOR CANCER TREATMENT MSH2, PMS2, MSH6 HSP90AA1 1915/4885HSP90AB1 1434/4885HSP90B1 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.