SCHEMBL4877499

SCHEMBL4877499

COC(=O)N(Cc1cccc(C(C)C)c1)C[C@@H](O)CO

nearest known ligand 0.42

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ BCHE P06276 2/20 0.42
▸ CETP P11597 9/20 0.42
▸ PTGES O14684 6/20 0.39
▸ BACE1 P56817 2/20 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
SCHEMBL4877509 1.00 BCHE (0.42) BCHECETPPTGESBACE1
SCHEMBL19365259 0.71 CYP3A4 (0.42) BCHEBACE1
SCHEMBL14441166 0.70 LMNA (0.46) BCHEBACE1
SCHEMBL9841880 0.69 TSHR (0.52) PTGES
SCHEMBL4156025 0.69 LMNA (0.41) BCHECETP
SCHEMBL18025550 0.69 SIRT2 (0.49) BCHE
SCHEMBL8186958 0.68 SLC7A5 (0.56) BCHEBACE1
SCHEMBL4881688 0.68 BCHE (0.62) BCHEBACE1
SCHEMBL4881679 0.68 BCHE (0.62) BCHEBACE1
SCHEMBL879176 0.68 HDAC6 (0.50) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080132477-A1 Macrocyclic Compounds Useful as Bace Inhibitors NOVARTIS AG (CH) 2008-06-05 — — US disclosed
EP-1851208-A1 MACROCYCLIC COMPOUNDS USEFUL AS BACE INHIBITORS Novartis AG (CH) 2007-11-07 — — EP disclosed
WO-2006074950-A1 MACROCYCLIC COMPOUNDS USEFUL AS BACE INHIBITORS NOVARTIS AG (CH) 2006-07-20 — — WO 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-20080132477-A1 Macrocyclic Compounds Useful as Bace Inhibitors BACE1, BACE2, APP BCHE 44/4885CETP 1811/4885PTGES 2920/4885

“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.

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