SCHEMBL6796881

SCHEMBL6796881

CC(C)Nc1ncc(-c2cc(N)cc(NC(=O)OC(C)(C)C)c2)n(CC(=O)O)c1=O

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
F7 P08709 13/20 0.49
MAPKAPK2 P49137 2/20 0.34
F3 P13726 2/20 0.33
MAP4K4 O95819 1/20 0.33
PRSS1 P07477 1/20 0.33
SYK P43405 1/20 0.33
EGLN2 Q96KS0 1/20 0.33
AURKA O14965 1/20 0.32
RPS6KB1 P23443 1/20 0.32
DGAT1 O75907 1/20 0.32

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
SCHEMBL8362598 0.90 F7 (0.41) F7MAPKAPK2SYKEGLN2AURKA
SCHEMBL6791806 0.90 F7 (0.40) F7SYKEGLN2
SCHEMBL6792414 0.89 F7 (0.41) F7EGLN2AURKARPS6KB1
SCHEMBL8360889 0.87 F7 (0.39) F7SYKEGLN2AURKARPS6KB1
SCHEMBL8363696 0.86 F7 (0.38) F7SYKEGLN2AURKARPS6KB1
SCHEMBL6792938 0.86 F7 (0.38) F7F3
SCHEMBL6792932 0.86 F7 (0.38) F7F3
SCHEMBL8360318 0.86 F7 (0.38) F7SYKEGLN2AURKARPS6KB1
SCHEMBL8362513 0.85 F7 (0.37) F7DGAT1
SCHEMBL6792372 0.85 F7 (0.38) F7SYKEGLN2

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-20040106626-A1 6-Membered unsaturated heterocyclic compounds useful for selective inhibition of the coagulation cascade PHARMACIA CORPORATION 2004-06-03 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-20040106626-A1 6-Membered unsaturated heterocyclic compounds useful for selective inhibition of the coagulation cascade TFPI, F2, TFPI2 F7 20/4885MAPKAPK2 2536/4885F3 16/4885

“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.