SCHEMBL6798243

SCHEMBL6798243

CC(C)Nc1ncc(-c2cc(/C=C/Cc3ccccc3)cc(NC(=O)OC(C)(C)C)c2)n(CC(=O)O)c1=O

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
F7 P08709 11/20 0.40
AURKA O14965 2/20 0.35
RPS6KB1 P23443 2/20 0.35
SCD O00767 1/20 0.35
KCNA3 P22001 1/20 0.33
AKT1 P31749 1/20 0.33
F2 P00734 2/20 0.32
F3 P13726 2/20 0.32
TOP2A P11388 1/20 0.31
TOP2B Q02880 1/20 0.31
ACSS2 Q9NR19 1/20 0.31
PPARG P37231 1/20 0.31
PPARA Q07869 1/20 0.31

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
SCHEMBL6798252 1.00 F7 (0.40) F7AURKARPS6KB1SCDKCNA3
SCHEMBL6792414 0.86 F7 (0.41) F7AURKARPS6KB1SCDACSS2
SCHEMBL6791082 0.84 F2 (0.40) F7AURKARPS6KB1SCDF2
SCHEMBL8362598 0.83 F7 (0.41) F7AURKARPS6KB1SCD
SCHEMBL8360320 0.82 F7 (0.45) F7AURKARPS6KB1SCDF2
SCHEMBL6791806 0.82 F7 (0.40) F7
SCHEMBL6796881 0.82 F7 (0.49) F7AURKARPS6KB1F3
SCHEMBL8360889 0.80 F7 (0.39) F7AURKARPS6KB1SCD
SCHEMBL6792372 0.79 F7 (0.38) F7
SCHEMBL6792938 0.79 F7 (0.38) F7F3

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 20/4885AURKA 2921/4885RPS6KB1 1474/4885

“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.