SCHEMBL29540765

SCHEMBL29540765

O=S(=O)(Nc1ccc(NS(=O)(=O)c2cccc3cccnc23)c2ccccc12)c1cccc2cccnc12

nearest known ligand 0.71

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.71
ALDH1A1 P00352 2/20 0.66
POLB P06746 1/20 0.66
MEN1 O00255 6/20 0.65
KMT2A Q03164 6/20 0.65
BRD4 O60885 1/20 0.64
ATM Q13315 1/20 0.63
SLC40A1 Q9NP59 5/20 0.63
TDP1 Q9NUW8 2/20 0.63
NFKBIA P25963 1/20 0.63
RELA Q04206 1/20 0.63
MMP2 P08253 1/20 0.60
KEAP1 Q14145 1/20 0.59
NFE2L2 Q16236 1/20 0.59
MAPT P10636 1/20 0.59

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
SCHEMBL22234047 1.00 GAA (0.71) GAAALDH1A1POLBMEN1KMT2A
SCHEMBL30009657 0.92 GAA (0.73) GAAALDH1A1POLBMEN1KMT2A
SCHEMBL28389279 0.92 GAA (0.73) GAAALDH1A1POLBMEN1KMT2A
SCHEMBL22252009 0.91 GAA (0.60) GAAALDH1A1POLBMEN1KMT2A
SCHEMBL1507919 0.86 SLC40A1 (0.76) GAAALDH1A1POLBMEN1KMT2A
SCHEMBL30854809 0.86 SLC40A1 (0.76) GAAALDH1A1POLBMEN1KMT2A
SCHEMBL30854810 0.85 MEN1 (0.67) GAAALDH1A1POLBMEN1KMT2A
SCHEMBL29255669 0.85 MEN1 (0.67) GAAALDH1A1POLBMEN1KMT2A
SCHEMBL6981201 0.84 SLC40A1 (0.73) GAAMEN1KMT2AATMSLC40A1
SCHEMBL3984153 0.84 MMP2 (0.65) GAAALDH1A1POLBMEN1KMT2A

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 GAA 1355/4885ALDH1A1 1856/4885POLB 3248/4885
US-12122742-B2 Small molecule direct inhibitors of KEAP1-NRF2 protein-protein interaction KEAP1, NFE2L2, HMOX1 GAA 1355/4885ALDH1A1 1856/4885POLB 3248/4885

“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.