SCHEMBL6993126

SCHEMBL6993126

CC(C)(C)NS(=O)(=O)c1ccccc1-c1ccc(NC(=O)C(C)(C)Nc2cccc(C(=N)N)c2)cc1

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
F10 P00742 20/20 0.52
PRSS1 P07477 7/20 0.51
F2 P00734 3/20 0.51
PRSS2 P07478 3/20 0.51
PRSS3 P35030 3/20 0.51
KCNH2 Q12809 1/20 0.51

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
Acetic Acid SCHEMBL7080812 0.97 F10 (0.51) F10PRSS1F2PRSS2PRSS3
SCHEMBL7084793 0.90 F10 (0.41) F10PRSS1F2PRSS2PRSS3
SCHEMBL6989121 0.89 F10 (0.57) F10PRSS1F2PRSS2PRSS3
SCHEMBL6995434 0.89 F10 (0.64) F10PRSS1F2PRSS2PRSS3
Acetic Acid SCHEMBL7080775 0.87 F10 (0.64) F10PRSS1F2PRSS2PRSS3
Trifluoroacetic Acid SCHEMBL7081758 0.84 PRSS1 (0.59) F10PRSS1F2PRSS2PRSS3
SCHEMBL7084412 0.82 F10 (0.45) F10
SCHEMBL7078190 0.81 F10 (0.51) F10PRSS1F2PRSS2PRSS3
SCHEMBL6997959 0.80 F10 (0.52) F10PRSS1F2PRSS2PRSS3
SCHEMBL6808870 0.79 F10 (0.60) F10PRSS1F2PRSS2PRSS3

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-20030162814-A1 N-substituted 1-amino-1,1-dialkylcarboxylic acid derivatives MERCK PATENT GMBH (DE) 2003-08-28 US claimed
EP-1303482-A2 N-SUBSTITUTED-1-AMINO-1,1-DIALKYLCARBOXYLIC ACID DERIVATIVES MERCK PATENT GmbH (DE) 2003-04-23 EP disclosed
WO-2002008177-A2 N-SUBSTITUTED-1-AMINO-1,1-DIALKYLCARBOXYLIC ACID DERIVATIVES MERCK PATENT GMBH (DE) 2002-01-31 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-20030162814-A1 N-substituted 1-amino-1,1-dialkylcarboxylic acid derivatives F5, CCNY, F2 F10 5/4885PRSS1 398/4885F2 3/4885

“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.