SCHEMBL6791082

SCHEMBL6791082

CC(C)Nc1ncc(-c2cc(NCCc3ccccc3)cc(NC(=O)OC(C)(C)C)c2)n(CC(=O)O)c1=O

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
F2 P00734 13/20 0.40
F7 P08709 6/20 0.40
F3 P13726 3/20 0.40
TPSAB1 Q15661 1/20 0.37
SCD O00767 1/20 0.36
PRSS1 P07477 2/20 0.35
AURKA O14965 1/20 0.35
RPS6KB1 P23443 1/20 0.35

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
SCHEMBL6792414 0.88 F7 (0.41) F7SCDAURKARPS6KB1
SCHEMBL6790500 0.85 F2 (0.53) F2F7F3PRSS1
SCHEMBL8362598 0.84 F7 (0.41) F7SCDAURKARPS6KB1
SCHEMBL8360320 0.84 F7 (0.45) F2F7F3SCDAURKA
SCHEMBL6798243 0.84 F7 (0.40) F2F7F3SCDAURKA
SCHEMBL6798252 0.84 F7 (0.40) F2F7F3SCDAURKA
SCHEMBL6790505 0.84 F7 (0.48) F2F7F3PRSS1
SCHEMBL6796881 0.84 F7 (0.49) F7F3PRSS1AURKARPS6KB1
SCHEMBL6791806 0.84 F7 (0.40) F7
SCHEMBL8360889 0.82 F7 (0.39) F7SCDAURKARPS6KB1

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 F2 2/4885F7 20/4885F3 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.