SCHEMBL6750755

SCHEMBL6750755

CC(C)CN(Cc1cccc(CN)c1)C(=O)C(=O)Nc1ccc(-c2ccccc2S(=O)(=O)NC(C)(C)C)cc1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
F10 P00742 11/20 0.47
PRSS1 P07477 6/20 0.43
F2 P00734 5/20 0.43
PRSS2 P07478 4/20 0.43
PRSS3 P35030 4/20 0.43
ALOX5AP P20292 6/20 0.39
FEN1 P39748 6/20 0.39
FPR1 P21462 1/20 0.36
FPR2 P25090 1/20 0.36
MMP3 P08254 1/20 0.36
GRIN2D O15399 1/20 0.36
GRIN3B O60391 1/20 0.36
GRIN1 Q05586 1/20 0.36
GRIN2A Q12879 1/20 0.36
GRIN2B Q13224 1/20 0.36
GRIN2C Q14957 1/20 0.36
GRIN3A Q8TCU5 1/20 0.36

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
SCHEMBL6749847 0.90 F10 (0.59) F10PRSS1F2PRSS2PRSS3
SCHEMBL6746019 0.90 F10 (0.44) F10PRSS1F2ALOX5APFEN1
SCHEMBL6566632 0.89 F10 (0.43) F10PRSS1F2MMP3
SCHEMBL6747892 0.89 F10 (0.48) F10PRSS1F2
SCHEMBL6746061 0.88 USP30 (0.42) F10ALOX5APFEN1
SCHEMBL6565281 0.88 F10 (0.42) F10PRSS1F2MMP3
Acetic Acid SCHEMBL6746021 0.87 F10 (0.49) F10PRSS1F2
SCHEMBL6749855 0.83 MAPT (0.37) F10ALOX5APFEN1
SCHEMBL6564612 0.80 F10 (0.55) F10PRSS1F2
SCHEMBL6747940 0.79 F10 (0.51) F10PRSS1F2PRSS2PRSS3

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 6/4885PRSS1 685/4885F2 2/4885

“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.