SCHEMBL7062097

SCHEMBL7062097

CC1(C)OCC(C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2)N1c1cccc(C(=N)N)c1

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
F10 P00742 20/20 0.58
PRSS1 P07477 14/20 0.58
PLG P00747 1/20 0.58
PROC P04070 1/20 0.58
F2 P00734 12/20 0.57
PRSS2 P07478 7/20 0.56
PRSS3 P35030 7/20 0.56
F9 P00740 1/20 0.56
KCNH2 Q12809 1/20 0.55

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
SCHEMBL7065469 0.94 PRSS1 (0.56) F10PRSS1PLGPROCF2
SCHEMBL6987087 0.87 F10 (0.55) F10PRSS1F2PRSS2PRSS3
SCHEMBL7065403 0.85 F10 (0.58) F10PRSS1PLGPROCF2
SCHEMBL7065720 0.83 F10 (0.61) F10PRSS1PLGPROCF2
SCHEMBL7065854 0.82 F10 (0.60) F10PRSS1PLGPROCF2
SCHEMBL7062348 0.81 F10 (0.63) F10PRSS1PLGPROCF2
SCHEMBL6986465 0.81 F2 (0.54) F10PRSS1F2PRSS2PRSS3
SCHEMBL7059855 0.80 F10 (0.62) F10PRSS1PLGPROCF2
SCHEMBL7062357 0.79 F10 (0.61) F10PRSS1PLGPROCF2
SCHEMBL7062113 0.79 F10 (0.63) F10PRSS1PLGPROCF2

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-20030176465-A1 Cyclic amino acid derivatives MERCK PATENT GMBH (DE) 2003-09-18 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-20030176465-A1 Cyclic amino acid derivatives F5, F11, F2 F10 5/4885PRSS1 298/4885PLG 141/4885

“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.