SCHEMBL6574056

SCHEMBL6574056

Cc1ccc(NS(=O)(=O)c2ccccc2CF)cc1NC(=O)Cc1ccc(C#N)cc1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RORC P51449 6/20 0.45
IDH1 O75874 3/20 0.44
IDO1 P14902 1/20 0.41
SLC22A12 Q96S37 3/20 0.41
LMNA P02545 1/20 0.39
MGAT2 Q10469 1/20 0.39
MCL1 Q07820 1/20 0.39
KCNJ6 P48051 1/20 0.39
KCNJ5 P48544 1/20 0.39
KCNJ3 P48549 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.38
ITGB1 P05556 1/20 0.38
ITGA4 P13612 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
SCHEMBL6766536 0.85 HDAC1 (0.52) RORCLMNAMGAT2MCL1HPGD
SCHEMBL6574032 0.83 HIF1A (0.43) RORCIDH1LMNAMGAT2MCL1
SCHEMBL6574325 0.81 LMNA (0.44) RORCIDH1IDO1LMNAALDH1A1
SCHEMBL6571783 0.80 LMNA (0.51) RORCIDH1IDO1LMNAMGAT2
SCHEMBL6765129 0.79 MGAT2 (0.56) RORCLMNAMGAT2ALDH1A1HPGD
SCHEMBL6572898 0.79 IDH1 (0.40) RORCIDH1IDO1LMNAALDH1A1
SCHEMBL6762133 0.77 POLB (0.53) RORCLMNAMCL1ALDH1A1HPGD
SCHEMBL6766083 0.76 HDAC1 (0.51) RORCIDO1LMNAMCL1
SCHEMBL6571948 0.74 HDAC1 (0.48) RORCIDO1LMNAMCL1ALDH1A1
SCHEMBL6570560 0.74 F2 (0.45) RORCIDO1LMNA

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 RORC 1596/4885IDH1 602/4885IDO1 175/4885

“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.