SCHEMBL6573645

SCHEMBL6573645

CCOC(=O)CN(c1ccc(N)cc1)S(=O)(=O)c1cccc2ccccc12

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 3/20 0.48
NFE2L2 Q16236 3/20 0.48
HCRTR2 O43614 5/20 0.47
OXTR P30559 1/20 0.47
HTR6 P50406 1/20 0.43
NR1D1 P20393 1/20 0.39
ALDH1A1 P00352 2/20 0.39
MAPT P10636 1/20 0.39
GAA P10253 1/20 0.39
HPGD P15428 1/20 0.38

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
SCHEMBL6571953 0.87 KEAP1 (0.45) KEAP1NFE2L2HCRTR2OXTRNR1D1
SCHEMBL6767214 0.86 KEAP1 (0.46) KEAP1NFE2L2HCRTR2OXTRNR1D1
SCHEMBL6574348 0.85 MMP1 (0.52) KEAP1NFE2L2HCRTR2OXTRNR1D1
SCHEMBL22234387 0.84 KEAP1 (0.69) KEAP1NFE2L2OXTRNR1D1ALDH1A1
SCHEMBL7423210 0.81 ALDH1A1 (0.55) KEAP1NFE2L2HCRTR2ALDH1A1
SCHEMBL6571973 0.80 MAPT (0.44) KEAP1NFE2L2HCRTR2OXTRNR1D1
SCHEMBL6574331 0.78 F2 (0.42) KEAP1NFE2L2HCRTR2OXTR
SCHEMBL5624368 0.77 LMNA (0.45) HCRTR2ALDH1A1
SCHEMBL6318614 0.77 ALDH1A1 (0.48) ALDH1A1
SCHEMBL6571764 0.76 HCRTR2 (0.43) KEAP1NFE2L2HCRTR2OXTR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040248897-A1 Substituted N-acylaniline derivatives, the preparation thereof, and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-12-09 US disclosed
EP-1414790-A1 SUBSTITUTED N-ACYL ANILINE DERIVATIVES, PRODUCTION AND USE THEREOF AS MEDICAMENTS Boehringer Ingelheim Pharma GmbH & Co.KG (DE) 2004-05-06 EP disclosed
WO-2003000653-A1 SUBSTITUTED N-ACYL ANILINE DERIVATIVES, PRODUCTION AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA GMBH & CO.KG (DE) 2003-01-03 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-20040248897-A1 Substituted N-acylaniline derivatives, the preparation thereof, and their use as pharmaceutical compositions NAT1, CYP3A5, CYP3A7 KEAP1 3010/4885NFE2L2 3634/4885HCRTR2 3807/4885

“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.