SCHEMBL26459353

SCHEMBL26459353

O=S(=O)(O)c1ccc(/N=N\c2ccc(/N=N\c3ccc(O)c4cccc(S(=O)(=O)O)c34)cc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ATIC P31939 2/20 1.00
▸ GLO1 Q04760 2/20 0.57
▸ RPS6KA3 P51812 1/20 0.56
▸ POLB P06746 2/20 0.49
▸ CYP2D6 P10635 1/20 0.49
▸ CYP1A2 P05177 5/20 0.48
▸ PHLPP2 Q6ZVD8 3/20 0.46
▸ LMNA P02545 1/20 0.46
▸ GAA P10253 1/20 0.46
▸ HPGD P15428 1/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ MEN1 O00255 3/20 0.45
▸ KMT2A Q03164 3/20 0.45
▸ NPC1 O15118 1/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ CASP6 P55212 1/20 0.45
▸ ATM Q13315 1/20 0.45
▸ KLF5 Q13887 1/20 0.45
▸ NSD2 O96028 1/20 0.45

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
SCHEMBL24187557 0.89 ATIC (0.81) ATICGLO1RPS6KA3POLBCYP2D6
SCHEMBL9644131 0.85 ATIC (0.74) ATICGLO1RPS6KA3POLBCYP1A2
SCHEMBL15274162 0.84 ATIC (0.72) ATICGLO1RPS6KA3POLBCYP1A2
SCHEMBL29933125 0.82 ATIC (0.69) ATICGLO1RPS6KA3POLBCYP2D6
SCHEMBL2203510 0.82 ATIC (0.69) ATICGLO1RPS6KA3POLBCYP2D6
SCHEMBL31658970 0.82 ATIC (0.69) ATICGLO1RPS6KA3POLBCYP2D6
SCHEMBL2203513 0.82 ATIC (0.69) ATICGLO1RPS6KA3POLBCYP2D6
SCHEMBL12177939 0.81 ATIC (0.67) ATICGLO1CYP1A2PHLPP2HPGD
SCHEMBL11411897 0.81 ATIC (0.67) ATICGLO1RPS6KA3POLBCYP2D6
SCHEMBL14026030 0.79 ATIC (0.65) ATICGLO1RPS6KA3POLBCYP2D6

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 ATIC 2705/4885GLO1 697/4885RPS6KA3 1125/4885

“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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