SCHEMBL7064529

SCHEMBL7064529

CS(=O)(=O)c1ccccc1-c1ccc(NC(=O)C2CCN2c2cccc(C(=N)N)c2)cc1

nearest known ligand 0.60

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 14/20 0.60
F2 P00734 14/20 0.60
PRSS2 P07478 10/20 0.60
PRSS3 P35030 10/20 0.60
F10 P00742 17/20 0.54
PLG P00747 1/20 0.54
PROC P04070 1/20 0.54
F9 P00740 2/20 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
SCHEMBL7064668 0.94 PRSS1 (0.57) PRSS1F2PRSS2PRSS3F10
SCHEMBL7062348 0.92 F10 (0.63) PRSS1F2PRSS2PRSS3F10
SCHEMBL7061085 0.87 PRSS1 (0.57) PRSS1F2PRSS2PRSS3F10
SCHEMBL7064796 0.87 PRSS1 (0.59) PRSS1F2PRSS2PRSS3F10
SCHEMBL7059855 0.87 F10 (0.62) PRSS1F2PRSS2PRSS3F10
SCHEMBL7060823 0.86 PRSS1 (0.53) PRSS1F2PRSS2PRSS3F10
SCHEMBL7062357 0.86 F10 (0.61) PRSS1F2PRSS2PRSS3F10
SCHEMBL7062939 0.86 PRSS1 (0.54) PRSS1F2PRSS2PRSS3F10
SCHEMBL7064289 0.85 PRSS1 (0.57) PRSS1F2PRSS2PRSS3F10
SCHEMBL7064804 0.85 PRSS1 (0.57) 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-20030176465-A1 Cyclic amino acid derivatives MERCK PATENT GMBH (DE) 2003-09-18 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-20030176465-A1 Cyclic amino acid derivatives F5, F11, F2 PRSS1 298/4885F2 3/4885PRSS2 251/4885

“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.