SCHEMBL26089402

SCHEMBL26089402

COc1ccc(S(=O)(=O)Nc2ccc(NS(=O)(=O)c3ccc(OC)cc3)c3ccccc23)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KEAP1 Q14145 16/20 1.00
▸ NFE2L2 Q16236 10/20 1.00
▸ SQSTM1 Q13501 2/20 1.00
▸ GAA P10253 2/20 0.83
▸ MITF O75030 1/20 0.83
▸ ALDH1A1 P00352 1/20 0.83
▸ LMNA P02545 1/20 0.83
▸ TP53 P04637 1/20 0.83
▸ MAPT P10636 1/20 0.83
▸ THRB P10828 1/20 0.83
▸ HPGD P15428 1/20 0.83
▸ ALOX15 P16050 1/20 0.83
▸ CASP1 P29466 1/20 0.83
▸ GFER P55789 1/20 0.83
▸ SMN1; SMN2 Q16637 1/20 0.83
▸ HKDC1 Q2TB90 1/20 0.83
▸ HSD17B10 Q99714 1/20 0.83
▸ L3MBTL1 Q9Y468 1/20 0.83
▸ KMT2A Q03164 1/20 0.62

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
SCHEMBL29028543 0.93 KEAP1 (0.86) KEAP1NFE2L2SQSTM1GAAMITF
SCHEMBL29892350 0.91 KEAP1 (0.83) KEAP1NFE2L2SQSTM1GAAMITF
SCHEMBL23443367 0.91 KEAP1 (1.00) KEAP1NFE2L2SQSTM1GAAMITF
SCHEMBL28347367 0.91 KEAP1 (0.83) KEAP1NFE2L2SQSTM1GAAMITF
SCHEMBL21511039 0.91 GAA (1.00) KEAP1NFE2L2SQSTM1GAAMITF
SCHEMBL29892935 0.90 KEAP1 (0.81) KEAP1NFE2L2SQSTM1GAAMITF
SCHEMBL28841731 0.89 KEAP1 (0.79) KEAP1NFE2L2SQSTM1GAAMITF
SCHEMBL12768028 0.88 KEAP1 (0.81) KEAP1NFE2L2SQSTM1GAAMITF
SCHEMBL38662927 0.88 KEAP1 (0.77) KEAP1NFE2L2SQSTM1GAAMITF
SCHEMBL29892528 0.88 KEAP1 (0.77) KEAP1NFE2L2SQSTM1GAAMITF

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230127304-A1 NEW INHIBITORS FOR THE KEAP1-NRF2 PROTEIN-PROTEIN INTERACTION PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2023-04-27 — — US 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-20230127304-A1 NEW INHIBITORS FOR THE KEAP1-NRF2 PROTEIN-PROTEIN INTERACTION KEAP1, HMOX1, NFE2L2 KEAP1 1/4885NFE2L2 3/4885SQSTM1 172/4885

“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.

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