SCHEMBL6749774

SCHEMBL6749774

CC(C)CN(Cc1cccc(C(=N)NO)c1)C(=O)C(=O)Nc1ccc(-c2ccccc2S(C)(=O)=O)cc1

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
F10 P00742 18/20 0.44
F2 P00734 6/20 0.41
PRSS1 P07477 6/20 0.41
PRSS2 P07478 3/20 0.41
PRSS3 P35030 3/20 0.41
KCNH2 Q12809 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
SCHEMBL6752283 0.94 F10 (0.52) F10F2PRSS1KCNH2
SCHEMBL6747940 0.91 F10 (0.51) F10F2PRSS1PRSS2PRSS3
SCHEMBL6859538 0.88 F10 (0.47) F10F2PRSS1PRSS2PRSS3
SCHEMBL6749865 0.85 F10 (0.51) F10F2PRSS1KCNH2
SCHEMBL7099152 0.85 F10 (0.51) F10F2PRSS1PRSS2PRSS3
SCHEMBL6750749 0.85 F10 (0.59) F10F2PRSS1PRSS2PRSS3
SCHEMBL6749876 0.84 F10 (0.50) F10F2PRSS1KCNH2
SCHEMBL6564612 0.83 F10 (0.55) F10F2PRSS1KCNH2
SCHEMBL6746084 0.83 NAMPT (0.42) F10F2PRSS1PRSS2PRSS3
SCHEMBL6749873 0.82 F10 (0.54) F10F2PRSS1KCNH2

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 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-20040220411-A1 Oxalic acid derivatives F11, F2, F12 F10 6/4885F2 2/4885PRSS1 685/4885

“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.