SCHEMBL5463277

SCHEMBL5463277

CCOC(=O)C[C@H](N)c1cccc(NC(=O)OCCc2ccc(C(Nc3ccc4c(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)cccc4c3)C(=O)O)cc2C)c1

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 5/20 0.33
F2 P00734 1/20 0.31
F10 P00742 1/20 0.31
F11 P03951 1/20 0.31
F7 P08709 1/20 0.31
F3 P13726 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
SCHEMBL4705082 1.00 BACE1 (0.33) BACE1F2F10F11F7
SCHEMBL8233838 1.00 BACE1 (0.33) BACE1F2F10F11F7
SCHEMBL4706638 0.92 BACE1 (0.32) BACE1
SCHEMBL3862539 0.90 F7 (0.35) F2F10F11F7F3
SCHEMBL3862854 0.90 F7 (0.35) F2F10F11F7F3
SCHEMBL4706585 0.88 BACE1 (0.41) BACE1
SCHEMBL4705954 0.88 BACE1 (0.41) BACE1
SCHEMBL4707977 0.87 BACE1 (0.35) BACE1F2F10F11F7
SCHEMBL4789374 0.85 SIRT2 (0.34) BACE1
SCHEMBL4790868 0.84 F2 (0.35) F2F10F11F7F3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070208054-A1 MACROCYCLIC FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS BRISTOL-MYERS SQUIBB COMPANY 2007-09-06 US disclosed
US-20070208054-A1 MACROCYCLIC FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS BRISTOL-MYERS SQUIBB COMPANY 2007-09-06 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-20070208054-A1 MACROCYCLIC FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS F12, F7, F2 BACE1 288/4885F2 3/4885F10 8/4885

“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.