SCHEMBL29540935

SCHEMBL29540935

O=C1c2ccccc2C(=O)N1c1ccc(S(=O)(=O)Nc2ccc(NS(=O)(=O)c3ccc(N4C(=O)c5ccccc5C4=O)cc3)c3ccccc23)cc1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KEAP1 Q14145 4/20 0.60
▸ NFE2L2 Q16236 4/20 0.60
▸ NPSR1 Q6W5P4 2/20 0.59
▸ RXFP1 Q9HBX9 3/20 0.59
▸ KMT2A Q03164 1/20 0.59
▸ KDM4E B2RXH2 1/20 0.58
▸ CA12 O43570 1/20 0.56
▸ CA1 P00915 1/20 0.56
▸ CA2 P00918 1/20 0.56
▸ CA9 Q16790 1/20 0.56
▸ SCN2A Q99250 1/20 0.56
▸ BRD4 O60885 5/20 0.53
▸ SQSTM1 Q13501 1/20 0.52
▸ EP300 Q09472 1/20 0.52
▸ KAT2B Q92831 1/20 0.52
▸ KAT8 Q9H7Z6 1/20 0.52

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
SCHEMBL22234332 1.00 KEAP1 (0.60) KEAP1NFE2L2NPSR1RXFP1KMT2A
SCHEMBL22252409 0.92 KEAP1 (0.58) KEAP1NFE2L2NPSR1RXFP1KMT2A
SCHEMBL16088828 0.78 NPSR1 (0.70) NPSR1RXFP1KMT2AKDM4ECA12
SCHEMBL29540848 0.78 KEAP1 (0.54) KEAP1NFE2L2NPSR1RXFP1KMT2A
SCHEMBL22233905 0.78 KEAP1 (0.54) KEAP1NFE2L2NPSR1RXFP1KMT2A
SCHEMBL9438146 0.76 CA1 (0.73) NPSR1RXFP1KMT2AKDM4ECA12
SCHEMBL152663 0.73 KMT2A (0.77) NPSR1RXFP1KMT2AKDM4E
SCHEMBL4649471 0.73 KMT2A (0.78) KMT2ACA12CA1CA2CA9
SCHEMBL22252403 0.73 KEAP1 (0.69) KEAP1NFE2L2KMT2ASQSTM1EP300
Lithium Ion SCHEMBL10975499 0.73 CA1 (0.69) NPSR1RXFP1KMT2AKDM4ECA12

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 2/4885NPSR1 4562/4885
US-12122742-B2 Small molecule direct inhibitors of KEAP1-NRF2 protein-protein interaction KEAP1, NFE2L2, HMOX1 KEAP1 1/4885NFE2L2 2/4885NPSR1 4562/4885

“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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