SCHEMBL6749895

SCHEMBL6749895

CC(C)CN(Cc1cccc(C(=N)N)c1)C(=O)C(=O)Nc1ccc(-c2ccccc2S(C)(=O)=O)cc1F

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
F10 P00742 17/20 0.57
F2 P00734 11/20 0.55
PRSS1 P07477 11/20 0.55
PRSS2 P07478 5/20 0.51
PRSS3 P35030 5/20 0.51
F9 P00740 1/20 0.43
PROC P04070 1/20 0.43
KLK1 P06870 1/20 0.43

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
SCHEMBL6848970 0.94 F10 (0.49) F10F2PRSS1PRSS2PRSS3
SCHEMBL6859538 0.92 F10 (0.47) F10F2PRSS1PRSS2PRSS3
SCHEMBL6746080 0.90 F10 (0.48) F10F2PRSS1PRSS2PRSS3
SCHEMBL6747943 0.89 F10 (0.57) F10F2PRSS1PRSS2PRSS3
SCHEMBL6749932 0.89 F10 (0.54) F10F2PRSS1PRSS2PRSS3
SCHEMBL6747940 0.88 F10 (0.51) F10F2PRSS1PRSS2PRSS3
SCHEMBL6750727 0.85 F10 (0.44) F10F2PRSS1PRSS2PRSS3
SCHEMBL6749908 0.83 F10 (0.49) F10F2PRSS1PRSS2PRSS3
SCHEMBL6750749 0.82 F10 (0.59) F10F2PRSS1PRSS2PRSS3
SCHEMBL7098563 0.81 F10 (0.53) F10F2PRSS1PRSS2PRSS3

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.