SCHEMBL26459259

SCHEMBL26459259

Cc1ccc(S(=O)(=O)Oc2nc3nc4ccccc4nc3nc2OS(=O)(=O)c2ccc(C)cc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 1.00
NFE2L2 Q16236 1/20 1.00
KDM4E B2RXH2 5/20 0.44
MAPK1 P28482 2/20 0.43
LMNA P02545 1/20 0.43
MEN1 O00255 5/20 0.42
KMT2A Q03164 5/20 0.42
ALDH3A1 P30838 2/20 0.42
VDR P11473 1/20 0.42
GAA P10253 5/20 0.41
ESR1 P03372 1/20 0.41
ESR2 Q92731 1/20 0.41
POLB P06746 3/20 0.41
ATM Q13315 2/20 0.41
ALDH1A1 P00352 4/20 0.40
NOD1 Q9Y239 2/20 0.40
CXCL8 P10145 1/20 0.40
NOD2 Q9HC29 1/20 0.40
HPGD P15428 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39

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
SCHEMBL4315431 0.76 KEAP1 (0.60) KEAP1NFE2L2KDM4ELMNAMEN1
SCHEMBL20270047 0.75 KEAP1 (0.59) KEAP1NFE2L2MAPK1LMNAMEN1
SCHEMBL19222682 0.74 KEAP1 (0.58) KEAP1NFE2L2KDM4EMAPK1LMNA
SCHEMBL28228620 0.72 KEAP1 (0.56) KEAP1NFE2L2KDM4EMAPK1LMNA
SCHEMBL8863623 0.72 KEAP1 (0.56) KEAP1NFE2L2KDM4EMAPK1LMNA
SCHEMBL5832529 0.72 KEAP1 (0.56) KEAP1NFE2L2KDM4EMAPK1LMNA
SCHEMBL346667 0.71 HTT (0.59) KEAP1NFE2L2MAPK1LMNAMEN1
SCHEMBL3053974 0.71 KDM4E (0.56) KEAP1NFE2L2KDM4EMAPK1LMNA
Phenazine SCHEMBL29609188 0.69 KDM4E (0.58) KEAP1NFE2L2KDM4EMAPK1LMNA
Iodide SCHEMBL3347426 0.69 HTT (0.58) KEAP1NFE2L2MAPK1LMNAMEN1

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-20230127304-A1 NEW INHIBITORS FOR THE KEAP1-NRF2 PROTEIN-PROTEIN INTERACTION PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2023-04-27 US disclosed
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 3/4885KDM4E 3135/4885

“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.