SCHEMBL7534285

SCHEMBL7534285

COc1ccc(NS(=O)(=O)c2ccc(NS(=O)(=O)c3ccccc3)c([N+](=O)[O-])c2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH3A1 P30838 1/20 0.63
KEAP1 Q14145 2/20 0.60
NFE2L2 Q16236 2/20 0.60
TDP1 Q9NUW8 3/20 0.60
PGR P06401 5/20 0.60
MAPT P10636 6/20 0.59
GAA P10253 2/20 0.59
L3MBTL1 Q9Y468 2/20 0.59
KDM4E B2RXH2 1/20 0.59
MAPK1 P28482 1/20 0.59
MCL1 Q07820 1/20 0.59
SMN1; SMN2 Q16637 3/20 0.59
HPGD P15428 2/20 0.59
SQSTM1 Q13501 1/20 0.59
ALDH1A1 P00352 4/20 0.57
LMNA P02545 4/20 0.57
MEN1 O00255 3/20 0.57
KMT2A Q03164 3/20 0.57
MITF O75030 1/20 0.55
TP53 P04637 1/20 0.55

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
SCHEMBL28702766 0.95 PGR (0.60) ALDH3A1KEAP1NFE2L2TDP1PGR
SCHEMBL7533314 0.89 KEAP1 (0.60) ALDH3A1KEAP1NFE2L2TDP1MAPT
SCHEMBL29470853 0.89 MAPT (0.65) ALDH3A1KEAP1NFE2L2TDP1MAPT
SCHEMBL8752415 0.89 MAPT (0.65) ALDH3A1KEAP1NFE2L2TDP1MAPT
SCHEMBL7536287 0.88 ALDH3A1 (0.65) ALDH3A1TDP1PGRMAPTGAA
Water SCHEMBL29037310 0.86 MAPT (0.61) ALDH3A1KEAP1NFE2L2TDP1MAPT
SCHEMBL21708265 0.85 MAPT (0.62) ALDH3A1KEAP1NFE2L2TDP1MAPT
SCHEMBL6674427 0.84 ALDH3A1 (0.60) ALDH3A1TDP1MAPTGAAL3MBTL1
SCHEMBL7540532 0.84 ALDH3A1 (0.62) ALDH3A1TDP1PGRMAPTGAA
SCHEMBL7538266 0.84 ALDH1A1 (0.59) KEAP1NFE2L2TDP1MAPTGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020013496-A1 Benzene compounds as antiproliferative and cholesterol lowering agents AMGEN INC. 2002-01-31 US claimed
EP-1005453-A1 SUBSTITUTED BENZENE COMPOUNDS AS ANTIPROLIFERATIVE AND CHOLESTEROL LOWERING AGENTS TULARIK, INC. (US) 2000-06-07 EP claimed
WO-1999010320-A1 SUBSTITUTED BENZENE COMPOUNDS AS ANTIPROLIFERATIVE AND CHOLESTEROL LOWERING AGENTS TULARIK INC. (US) 1999-03-04 WO claimed
EP-1181286-A1 3-(ARYLSULFONYLAMINO)-TETRAHYDROPYRAN-3-CARBOXYLIC ACID HYDROXAMIDES Pfizer Products Inc. (US) 2002-02-27 EP disclosed
WO-2000073295-A1 3-(ARYLSULFONYLAMINO)-TETRAHYDROPYRAN-3-CARBOXYLIC ACID HYDROXAMIDES PFIZER PRODUCTS INC. (US) 2000-12-07 WO 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-20020013496-A1 Benzene compounds as antiproliferative and cholesterol lowering agents CYP46A1, TGFB1, NR1H2 ALDH3A1 3070/4885KEAP1 70/4885NFE2L2 418/4885

“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.