SCHEMBL30368388

SCHEMBL30368388

COc1c(C)c(OS(=O)(=O)c2ccc(C)cc2)cc(OS(=O)(=O)c2ccc(C)cc2)c1C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.49
GAA P10253 3/20 0.49
PLA2G2A P14555 1/20 0.46
GFER P55789 2/20 0.45
APP P05067 1/20 0.44
LMNA P02545 4/20 0.43
HTT P42858 2/20 0.43
KMT2A Q03164 5/20 0.43
MAPT P10636 5/20 0.42
MEN1 O00255 4/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
ESR1 P03372 1/20 0.42
ESR2 Q92731 1/20 0.42
HPGD P15428 2/20 0.42
PKM P14618 2/20 0.42
NPSR1 Q6W5P4 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
POLB P06746 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP1A2 P05177 1/20 0.41

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
SCHEMBL25669111 1.00 ALDH1A1 (0.49) ALDH1A1GAAPLA2G2AGFERAPP
SCHEMBL25273055 0.86 GAA (0.48) ALDH1A1GAAGFERAPPLMNA
SCHEMBL31282678 0.82 KMT2A (0.40) ALDH1A1GAAGFERAPPLMNA
SCHEMBL25220696 0.82 KEAP1 (0.44) ALDH1A1GAALMNAKMT2AMAPT
SCHEMBL25669113 0.81 F2 (0.39) ALDH1A1GAAGFERLMNAKMT2A
SCHEMBL30368209 0.81 F2 (0.39) ALDH1A1GAAGFERLMNAKMT2A
SCHEMBL31062429 0.80 ALDH1A1 (0.53) ALDH1A1GAAGFERAPPLMNA
SCHEMBL25258233 0.80 KEAP1 (0.47) ALDH1A1GAALMNAHTTSMN1; SMN2
SCHEMBL25251372 0.80 THRA (0.43) ALDH1A1GAAKMT2AMAPTMEN1
SCHEMBL31281667 0.80 ENPP3 (0.40) ALDH1A1GAALMNAKMT2AMEN1

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 4 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-20240425453-A1 ISOINDOLINES AS PMS2 INHIBITORS CHARLES RIVER DISCOVERY RESEARCH SERVICES UK LIMITED (GB) 2024-12-26 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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 ALDH1A1 1103/4885GAA 3812/4885PLA2G2A 3772/4885
US-20230183197-A1 INHIBITORS OF MLH1 AND/OR PMS2 FOR CANCER TREATMENT MSH2, PMS2, MSH6 ALDH1A1 1817/4885GAA 3458/4885PLA2G2A 3172/4885
US-20240425453-A1 ISOINDOLINES AS PMS2 INHIBITORS PMS2, MSH2, RECQL ALDH1A1 1114/4885GAA 4038/4885PLA2G2A 1725/4885

“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.