SCHEMBL6992031

SCHEMBL6992031

CC(C)(NC(=O)c1cccc(C(=N)N)c1)C(=O)Nc1ccc(-c2ccccc2S(N)(=O)=O)cc1

nearest known ligand 0.68

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
F10 P00742 20/20 0.68
PRSS1 P07477 6/20 0.65
PRSS2 P07478 2/20 0.65
PRSS3 P35030 2/20 0.65
F2 P00734 2/20 0.65
KCNH2 Q12809 1/20 0.65
PLG P00747 1/20 0.64
PROC P04070 1/20 0.64

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
SCHEMBL6995434 0.87 F10 (0.64) F10PRSS1PRSS2PRSS3F2
SCHEMBL6999310 0.85 F10 (0.61) F10PRSS1PRSS2PRSS3F2
Acetic Acid SCHEMBL7080775 0.85 F10 (0.64) F10PRSS1PRSS2PRSS3F2
SCHEMBL7115966 0.82 F10 (0.70) F10PRSS1PRSS2PRSS3F2
SCHEMBL12132476 0.79 F10 (0.75) F10PRSS1PRSS2PRSS3PLG
SCHEMBL7451947 0.79 F10 (1.00) F10PRSS1PRSS2PRSS3F2
SCHEMBL6989121 0.79 F10 (0.57) F10PRSS1PRSS2PRSS3F2
SCHEMBL7681967 0.79 F10 (1.00) F10PRSS1PRSS2PRSS3F2
SCHEMBL7451943 0.79 F10 (1.00) F10PRSS1PRSS2PRSS3F2
SCHEMBL7688293 0.78 F10 (1.00) F10PRSS1F2KCNH2

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 disclosed
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 398/4885PRSS2 851/4885

“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.