SCHEMBL6571764

SCHEMBL6571764

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

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 4/20 0.43
OXTR P30559 2/20 0.38
KEAP1 Q14145 2/20 0.37
NFE2L2 Q16236 2/20 0.37
MLYCD O95822 1/20 0.36
LTB4R2 Q9NPC1 1/20 0.35
AVPR1A P37288 1/20 0.35
RORC P51449 2/20 0.35
KDM4E B2RXH2 3/20 0.34
PTPN2 P17706 1/20 0.34
PTPN1 P18031 1/20 0.34
STAT3 P40763 1/20 0.34
PTPRS Q13332 1/20 0.34
KDM1A O60341 1/20 0.34

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
SCHEMBL6574331 0.87 F2 (0.42) HCRTR2OXTRKEAP1NFE2L2MLYCD
SCHEMBL7355762 0.81 HCRTR2 (0.36) HCRTR2OXTRKEAP1NFE2L2AVPR1A
SCHEMBL6765997 0.77 F2 (0.48) OXTRKEAP1NFE2L2MLYCD
SCHEMBL6573645 0.76 KEAP1 (0.48) HCRTR2OXTRKEAP1NFE2L2
SCHEMBL6767214 0.74 KEAP1 (0.46) HCRTR2OXTRKEAP1NFE2L2
SCHEMBL6574348 0.73 MMP1 (0.52) HCRTR2OXTRKEAP1NFE2L2
SCHEMBL6982826 0.72 P2RX7 (0.41) RORCKDM1A
SCHEMBL22234387 0.72 KEAP1 (0.69) OXTRKEAP1NFE2L2
SCHEMBL6571953 0.71 KEAP1 (0.45) HCRTR2OXTRKEAP1NFE2L2
SCHEMBL6635031 0.70 F2 (0.45) HCRTR2PTPN2PTPN1STAT3PTPRS

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 HCRTR2 3807/4885OXTR 2071/4885KEAP1 3010/4885

“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.