SCHEMBL6793117

SCHEMBL6793117

CC(C)Nc1ncc(-c2cc(N)cc(C(F)(F)F)c2)n(CC(=O)NCc2ccc(C#N)c(F)c2)c1=O

nearest known ligand 0.60

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
F7 P08709 17/20 0.60
F3 P13726 6/20 0.44
PRSS1 P07477 2/20 0.41
F2 P00734 4/20 0.40
ENPP2 Q13822 1/20 0.39
CACNA1H O95180 1/20 0.38
PRSS2 P07478 1/20 0.36
PRSS3 P35030 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
SCHEMBL8360265 0.90 F7 (0.65) F7F3PRSS1F2
SCHEMBL6792942 0.87 F7 (0.68) F7F3PRSS1F2PRSS2
SCHEMBL6793052 0.86 F7 (0.60) F7F3PRSS1F2PRSS2
SCHEMBL6793049 0.86 F7 (0.60) F7F3PRSS1F2PRSS2
SCHEMBL6795150 0.83 F7 (0.55) F7F3PRSS1F2
SCHEMBL8363541 0.83 F7 (0.66) F7F3PRSS1F2
SCHEMBL8363138 0.83 F7 (0.68) F7F3PRSS1F2PRSS2
SCHEMBL8363577 0.83 F7 (0.73) F7F3PRSS1F2
SCHEMBL8360246 0.83 F7 (0.73) F7F3PRSS1F2
SCHEMBL8360141 0.82 F7 (0.59) F7F3PRSS1F2

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-20040082585-A1 Prodrugs of substituted polycyclic compounds useful for selective inhibition of the coagulation cascade PHARMACIA CORPORATION 2004-04-29 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-20040082585-A1 Prodrugs of substituted polycyclic compounds useful for selective inhibition of the coagulation cascade TFPI, F2, PLG F7 54/4885F3 20/4885PRSS1 34/4885

“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.