SCHEMBL29540848

SCHEMBL29540848

COc1ccc(S(=O)(=O)Nc2cc(-c3ccc(N4C(=O)c5ccccc5C4=O)cc3)c(NS(=O)(=O)c3ccc(OC)cc3)c3ccccc23)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KEAP1 Q14145 6/20 0.54
▸ NFE2L2 Q16236 5/20 0.54
▸ SQSTM1 Q13501 2/20 0.54
▸ STAT3 P40763 4/20 0.52
▸ ALDH1A1 P00352 2/20 0.48
▸ LMNA P02545 2/20 0.48
▸ GAA P10253 2/20 0.48
▸ MAPT P10636 2/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ RXFP1 Q9HBX9 1/20 0.48
▸ MITF O75030 1/20 0.48
▸ TP53 P04637 1/20 0.48
▸ THRB P10828 1/20 0.48
▸ HPGD P15428 1/20 0.48
▸ ALOX15 P16050 1/20 0.48
▸ CASP1 P29466 1/20 0.48
▸ GFER P55789 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ HKDC1 Q2TB90 1/20 0.48
▸ HSD17B10 Q99714 1/20 0.48

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
SCHEMBL22233905 1.00 KEAP1 (0.54) KEAP1NFE2L2SQSTM1STAT3ALDH1A1
SCHEMBL29540814 0.88 KEAP1 (0.68) KEAP1NFE2L2SQSTM1STAT3ALDH1A1
SCHEMBL22234983 0.88 KEAP1 (0.68) KEAP1NFE2L2SQSTM1STAT3ALDH1A1
SCHEMBL29540501 0.85 KEAP1 (0.67) KEAP1NFE2L2SQSTM1STAT3ALDH1A1
SCHEMBL29540900 0.81 STAT3 (0.72) KEAP1NFE2L2SQSTM1STAT3ALDH1A1
SCHEMBL22234332 0.78 KEAP1 (0.60) KEAP1NFE2L2SQSTM1KMT2ARXFP1
SCHEMBL29540935 0.78 KEAP1 (0.60) KEAP1NFE2L2SQSTM1KMT2ARXFP1
SCHEMBL29892350 0.75 KEAP1 (0.83) KEAP1NFE2L2SQSTM1STAT3ALDH1A1
SCHEMBL26089402 0.72 KEAP1 (1.00) KEAP1NFE2L2SQSTM1ALDH1A1LMNA
SCHEMBL2550387 0.72 NR1H3 (0.81) ALDH1A1MAPTKMT2ANR1H3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12122742-B2 Small molecule direct inhibitors of KEAP1-NRF2 protein-protein interaction RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2024-10-22 — — US disclosed
US-20220112160-A1 SMALL MOLECULE DIRECT INHIBITORS OF KEAP1-NRF2 PROTEIN-PROTEIN INTERACTION RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2022-04-14 — — 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 (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-20220112160-A1 SMALL MOLECULE DIRECT INHIBITORS OF KEAP1-NRF2 PROTEIN-PROTEIN INTERACTION KEAP1, NFE2L2, HMOX1 KEAP1 1/4885NFE2L2 2/4885SQSTM1 579/4885
US-12122742-B2 Small molecule direct inhibitors of KEAP1-NRF2 protein-protein interaction KEAP1, NFE2L2, HMOX1 KEAP1 1/4885NFE2L2 2/4885SQSTM1 579/4885

“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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