SCHEMBL6574331

SCHEMBL6574331

CCOC(=O)CN(c1ccc(N(CC)C(=O)CCc2ccc(C(=N)N)cc2)cc1)S(=O)(=O)c1cccc2ccccc12

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
F2 P00734 12/20 0.42
F10 P00742 6/20 0.41
PRSS1 P07477 3/20 0.41
HCRTR2 O43614 3/20 0.39
OXTR P30559 1/20 0.38
PRSS2 P07478 2/20 0.37
PRSS3 P35030 2/20 0.37
KEAP1 Q14145 1/20 0.37
NFE2L2 Q16236 1/20 0.37
ITGB3 P05106 1/20 0.37
ITGA2B P08514 1/20 0.37
MLYCD O95822 1/20 0.36

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
SCHEMBL6765997 0.91 F2 (0.48) F2PRSS1OXTRPRSS2PRSS3
SCHEMBL6571764 0.87 HCRTR2 (0.43) HCRTR2OXTRKEAP1NFE2L2MLYCD
Hydrochloric Acid SCHEMBL6979622 0.78 F2 (0.39) F2F10PRSS1ITGB3ITGA2B
SCHEMBL6573645 0.78 KEAP1 (0.48) HCRTR2OXTRKEAP1NFE2L2
SCHEMBL6570643 0.78 F2 (0.45) F2F10PRSS1PRSS2PRSS3
SCHEMBL6767214 0.74 KEAP1 (0.46) HCRTR2OXTRKEAP1NFE2L2
Hydrochloric Acid SCHEMBL7353271 0.73 F2 (0.44) F2F10PRSS1ITGB3ITGA2B
SCHEMBL6571953 0.73 KEAP1 (0.45) HCRTR2OXTRKEAP1NFE2L2
SCHEMBL6574348 0.73 MMP1 (0.52) HCRTR2OXTRKEAP1NFE2L2
Iodide SCHEMBL7956718 0.72 F2 (0.39) F2

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 F2 612/4885F10 462/4885PRSS1 1283/4885

“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.