SCHEMBL6765941

SCHEMBL6765941

Cc1c(NC(=O)Cc2ccc(C(=N)N)cc2)ccc(NS(=O)(=O)c2ccccc2)c1C

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
F2 P00734 12/20 0.59
PRSS1 P07477 9/20 0.59
PRSS2 P07478 8/20 0.59
PRSS3 P35030 8/20 0.59
MCL1 Q07820 1/20 0.53
TMPRSS6 Q8IU80 2/20 0.49
ALDH1A1 P00352 1/20 0.49
GAA P10253 1/20 0.49
HTT P42858 1/20 0.49
METAP2 P50579 1/20 0.46
ITGB3 P05106 2/20 0.46
ITGA2B P08514 2/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC8 Q9BY41 1/20 0.46

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
SCHEMBL6764627 0.90 F2 (0.60) F2PRSS1PRSS2PRSS3MCL1
SCHEMBL6764877 0.87 F2 (0.57) F2PRSS1PRSS2PRSS3MCL1
SCHEMBL6771025 0.85 F2 (0.55) F2PRSS1PRSS2PRSS3MCL1
SCHEMBL6765337 0.85 F2 (0.52) F2PRSS1PRSS2PRSS3MCL1
SCHEMBL6765424 0.83 F2 (0.55) F2PRSS1PRSS2PRSS3MCL1
SCHEMBL6570647 0.81 MCL1 (0.54) MCL1ALDH1A1GAAHTTMETAP2
SCHEMBL6767041 0.81 TMPRSS6 (0.53) F2PRSS1PRSS2PRSS3MCL1
SCHEMBL6771080 0.81 F2 (0.51) F2PRSS1PRSS2PRSS3MCL1
SCHEMBL6762119 0.79 TMPRSS6 (0.57) F2PRSS1PRSS2PRSS3TMPRSS6
SCHEMBL6765244 0.79 FFAR4 (0.50) F2PRSS1PRSS2PRSS3MCL1

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 F2 612/4885PRSS1 1283/4885PRSS2 1465/4885

“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.