SCHEMBL7080814

SCHEMBL7080814

CC(=O)N(CC(C)(C)Nc1cccc(C(=N)N)c1)c1ccc(-c2ccccc2S(=O)(=O)NC(C)(C)C)cc1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 12/20 0.44
F2 P00734 9/20 0.44
PRSS2 P07478 8/20 0.44
PRSS3 P35030 8/20 0.44
F10 P00742 14/20 0.44
KCNH2 Q12809 1/20 0.43
PLG P00747 1/20 0.41
PLAT P00750 1/20 0.41
F7 P08709 1/20 0.41

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
SCHEMBL7080780 0.91 F10 (0.54) PRSS1F2PRSS2PRSS3F10
SCHEMBL7081763 0.81 F2 (0.49) PRSS1F2PRSS2PRSS3F10
SCHEMBL6993126 0.79 F10 (0.52) PRSS1F2PRSS2PRSS3F10
Acetic Acid SCHEMBL7080812 0.78 F10 (0.51) PRSS1F2PRSS2PRSS3F10
SCHEMBL7097177 0.76 F10 (0.48) PRSS1F2PRSS2PRSS3F10
SCHEMBL6808870 0.72 F10 (0.60) PRSS1F2PRSS2PRSS3F10
Acetic Acid SCHEMBL7113085 0.72 F10 (0.56) PRSS1F2PRSS2PRSS3F10
SCHEMBL7078190 0.71 F10 (0.51) PRSS1F2PRSS2PRSS3F10
Acetic Acid SCHEMBL7077233 0.71 F10 (0.49) PRSS1F2PRSS2PRSS3F10
SCHEMBL7059244 0.71 PRSS1 (0.51) PRSS1F2PRSS2PRSS3F10

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-20030162814-A1 N-substituted 1-amino-1,1-dialkylcarboxylic acid derivatives MERCK PATENT GMBH (DE) 2003-08-28 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-20030162814-A1 N-substituted 1-amino-1,1-dialkylcarboxylic acid derivatives F5, CCNY, F2 PRSS1 398/4885F2 3/4885PRSS2 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.