SCHEMBL6572872

SCHEMBL6572872

CCOC(=O)Cc1ccc(NS(=O)(=O)c2ccccc2)cc1NC(=O)Cc1ccc(C(=N)N)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 7/20 0.47
ALDH1A1 P00352 2/20 0.46
KDM4E B2RXH2 1/20 0.46
LMNA P02545 1/20 0.46
TSHR P16473 1/20 0.46
HSD17B10 Q99714 1/20 0.46
PRSS1 P07477 2/20 0.46
PRSS2 P07478 1/20 0.46
PRSS3 P35030 1/20 0.46
HDAC1 Q13547 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
TMPRSS6 Q8IU80 2/20 0.44
F10 P00742 1/20 0.44
MCL1 Q07820 1/20 0.43
PLAU P00749 2/20 0.42
HPN P05981 2/20 0.42
AURKA O14965 1/20 0.41
AURKB Q96GD4 1/20 0.41
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40

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
SCHEMBL6771080 0.90 F2 (0.51) F2PRSS1PRSS2PRSS3HDAC1
SCHEMBL6765424 0.85 F2 (0.55) F2PRSS1PRSS2PRSS3HDAC1
SCHEMBL6771025 0.84 F2 (0.55) F2ALDH1A1KDM4EPRSS1PRSS2
SCHEMBL6765337 0.81 F2 (0.52) F2PRSS1PRSS2PRSS3HDAC1
SCHEMBL6767041 0.78 TMPRSS6 (0.53) F2LMNAPRSS1PRSS2PRSS3
SCHEMBL6764877 0.78 F2 (0.57) F2PRSS1PRSS2PRSS3HDAC1
SCHEMBL6765892 0.78 ALDH1A1 (0.50) F2ALDH1A1PRSS1PRSS2PRSS3
SCHEMBL6765244 0.78 FFAR4 (0.50) F2ALDH1A1LMNAPRSS1PRSS2
SCHEMBL6765941 0.77 F2 (0.59) F2ALDH1A1PRSS1PRSS2PRSS3
SCHEMBL6764538 0.77 F2 (0.43) F2ALDH1A1LMNATSHRPRSS1

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 612/4885ALDH1A1 669/4885KDM4E 1576/4885

“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.