SCHEMBL7070528

SCHEMBL7070528

COc1ccc(C(=S)NC(=N)c2cccc(CN(C)C(=O)Cc3ccc(-c4ccccc4S(N)(=O)=O)cc3)c2)cc1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 2/20 0.47
F10 P00742 16/20 0.45
PRSS1 P07477 8/20 0.43
F2 P00734 4/20 0.43
PRSS2 P07478 4/20 0.43
PRSS3 P35030 4/20 0.43
PLG P00747 3/20 0.42
PLAT P00750 2/20 0.42
F7 P08709 2/20 0.42
PROC P04070 1/20 0.41
KLK1 P06870 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
SCHEMBL7075571 0.92 F10 (0.49) SCN9AF10PRSS1F2PRSS2
SCHEMBL7074088 0.91 F10 (0.45) SCN9AF10PRSS1F2PRSS2
SCHEMBL7070281 0.91 F10 (0.43) SCN9AF10PRSS1F2PRSS2
SCHEMBL7074957 0.90 F10 (0.45) SCN9AF10PRSS1F2PRSS2
SCHEMBL7088543 0.90 SCN9A (0.45) SCN9AF10PRSS1F2PRSS2
SCHEMBL7072101 0.90 F10 (0.46) SCN9AF10PRSS1F2PRSS2
SCHEMBL7072626 0.89 F10 (0.44) SCN9AF10PRSS1F2PRSS2
SCHEMBL7096906 0.89 F10 (0.46) SCN9AF10PRSS1F2
SCHEMBL7072789 0.89 SCN9A (0.49) SCN9AF10PRSS1F2PRSS2
SCHEMBL7072039 0.89 F10 (0.46) SCN9AF10PRSS1F2PRSS2

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-20030187037-A1 Acetamide derivatives and the use thereof as inhibitors of coagulation factors xa and viia MERCK-PATENT GMBH (DE) 2003-10-02 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-20030187037-A1 Acetamide derivatives and the use thereof as inhibitors of coagulation factors xa and viia F12, F11, PLAT SCN9A 3149/4885F10 17/4885PRSS1 130/4885

“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.