SCHEMBL30368071

SCHEMBL30368071

Cc1ccc(S(=O)(=O)Oc2cc(OS(=O)(=O)c3ccc(C)cc3)c(C(=O)O)c(OCC3CCCCC3)c2C)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP1 P22413 3/20 0.41
ENPP3 O14638 2/20 0.41
ENPP2 Q13822 2/20 0.41
CD4 P01730 2/20 0.38
THRA P10827 2/20 0.38
THRB P10828 2/20 0.38
F2 P00734 2/20 0.38
HTR6 P50406 1/20 0.37
KEAP1 Q14145 1/20 0.37
NFE2L2 Q16236 1/20 0.37
MMP3 P08254 1/20 0.37
XDH P47989 2/20 0.36
ALDH1A1 P00352 2/20 0.36
GAA P10253 2/20 0.36
MCL1 Q07820 1/20 0.36
BCL2A1 Q16548 1/20 0.36
MEN1 O00255 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 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
SCHEMBL25669112 1.00 ENPP1 (0.41) ENPP1ENPP3ENPP2CD4THRA
SCHEMBL31281667 0.99 ENPP3 (0.40) ENPP1ENPP3ENPP2CD4THRA
SCHEMBL25669113 0.95 F2 (0.39) ENPP1ENPP3ENPP2F2HTR6
SCHEMBL30368209 0.95 F2 (0.39) ENPP1ENPP3ENPP2F2HTR6
SCHEMBL31062471 0.84 ENPP1 (0.46) ENPP1ENPP3ENPP2CD4F2
SCHEMBL25233031 0.83 CD4 (0.39) ENPP1ENPP3ENPP2CD4F2
SCHEMBL30301763 0.83 CD4 (0.39) ENPP1ENPP3ENPP2CD4F2
SCHEMBL25273055 0.82 GAA (0.48) ENPP1THRBALDH1A1GAAMEN1
SCHEMBL25212540 0.79 F2 (0.36) ENPP1ENPP3ENPP2CD4F2
SCHEMBL25220696 0.79 KEAP1 (0.44) KEAP1NFE2L2ALDH1A1GAAMEN1

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
US-12552758-B2 Inhibitors of MLH1 and/or PMS2 for cancer treatment Neophore Limited (GB) 2026-02-17 US disclosed
CN-118317954-A Indoline as PROTAC compound 奈奥芬莱有限公司 2024-07-09 CN disclosed
CN-118317949-A Isoindolines as PMS2 inhibitors 奈奥芬莱有限公司 2024-07-09 CN 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 (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 ENPP1 3241/4885ENPP3 3267/4885ENPP2 3681/4885
US-20230183197-A1 INHIBITORS OF MLH1 AND/OR PMS2 FOR CANCER TREATMENT MSH2, PMS2, MSH6 ENPP1 2426/4885ENPP3 3135/4885ENPP2 2832/4885

“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.