SCHEMBL6749870

SCHEMBL6749870

CONC(=N)c1cccc(CNC(=O)C(=O)N(CC(C)C)c2ccc(-c3ccccc3S(N)(=O)=O)cc2)c1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 8/20 0.44
F2 P00734 7/20 0.44
PRSS2 P07478 7/20 0.44
PRSS3 P35030 7/20 0.44
F10 P00742 14/20 0.43
PLG P00747 3/20 0.43
PLAT P00750 2/20 0.43
F7 P08709 2/20 0.43
SCN9A Q15858 1/20 0.40
PROC P04070 1/20 0.40
KLK1 P06870 1/20 0.40

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
SCHEMBL6752228 0.92 F10 (0.42) PRSS1F2PRSS2PRSS3F10
SCHEMBL6750772 0.92 F10 (0.44) PRSS1F2PRSS2PRSS3F10
SCHEMBL6752503 0.85 F10 (0.48) PRSS1F2PRSS2PRSS3F10
SCHEMBL6749917 0.85 F10 (0.40) PRSS1F2PRSS2PRSS3F10
SCHEMBL6749865 0.80 F10 (0.51) PRSS1F2F10
SCHEMBL6854380 0.76 CARM1 (0.39) PRSS1F2PRSS2PRSS3F10
SCHEMBL6565271 0.74 F10 (0.47) PRSS1F2PRSS2PRSS3F10
SCHEMBL6752275 0.74 F10 (0.61) PRSS1F2PRSS2PRSS3F10
SCHEMBL6752489 0.73 F10 (0.44) PRSS1F2PRSS2PRSS3F10
SCHEMBL6749876 0.72 F10 (0.50) PRSS1F2F10

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-20040220411-A1 Oxalic acid derivatives MERCK PATENT GMBH (DE) 2004-11-04 US claimed

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-20040220411-A1 Oxalic acid derivatives F11, F2, F12 PRSS1 685/4885F2 2/4885PRSS2 2331/4885

“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.