SCHEMBL6765244

SCHEMBL6765244

N=C(N)c1ccc(CC(=O)Nc2ccc(NS(=O)(=O)c3ccccc3)cc2C(F)(F)F)cc1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 2/20 0.50
MCL1 Q07820 1/20 0.49
F2 P00734 9/20 0.49
PRSS1 P07477 2/20 0.49
PRSS2 P07478 2/20 0.49
PRSS3 P35030 2/20 0.49
HDAC1 Q13547 1/20 0.48
HDAC8 Q9BY41 1/20 0.48
TMPRSS6 Q8IU80 6/20 0.48
RORC P51449 1/20 0.46
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
MAPT P10636 1/20 0.43

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
SCHEMBL6771025 0.85 F2 (0.55) MCL1F2PRSS1PRSS2PRSS3
SCHEMBL6571770 0.84 RORC (0.50) FFAR4MCL1HDAC1HDAC8RORC
SCHEMBL6765424 0.83 F2 (0.55) MCL1F2PRSS1PRSS2PRSS3
SCHEMBL6771080 0.83 F2 (0.51) MCL1F2PRSS1PRSS2PRSS3
SCHEMBL6764616 0.80 SLC22A12 (0.44) F2PRSS1PRSS2PRSS3RORC
SCHEMBL6765941 0.79 F2 (0.59) MCL1F2PRSS1PRSS2PRSS3
SCHEMBL6765337 0.79 F2 (0.52) MCL1F2PRSS1PRSS2PRSS3
SCHEMBL6572872 0.78 F2 (0.47) MCL1F2PRSS1PRSS2PRSS3
SCHEMBL6767041 0.77 TMPRSS6 (0.53) MCL1F2PRSS1PRSS2PRSS3
SCHEMBL6766137 0.77 TMPRSS6 (0.53) MCL1F2PRSS1PRSS2PRSS3

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 1 patent. 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

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 FFAR4 662/4885MCL1 3667/4885F2 612/4885

“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.