SCHEMBL30088367

SCHEMBL30088367

CCOC(=O)C[C@](C)(N[S@+]([O-])C(C)(C)C)c1nc(Br)ccc1Cl

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 1/20 0.40
▸ MEN1 O00255 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ GAA P10253 2/20 0.31
▸ HTT P42858 1/20 0.31
▸ NLRP3 Q96P20 1/20 0.31
▸ ALDH1A1 P00352 2/20 0.31
▸ DHODH Q02127 1/20 0.31
▸ LMNA P02545 1/20 0.30
▸ ANO1 Q5XXA6 1/20 0.30
▸ THRB P10828 1/20 0.30

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
SCHEMBL16175996 1.00 BACE1 (0.40) BACE1MEN1POLBKMT2AGAA
SCHEMBL30088347 0.87 BACE1 (0.44) BACE1GAANLRP3ALDH1A1DHODH
SCHEMBL16176009 0.87 BACE1 (0.44) BACE1GAANLRP3ALDH1A1DHODH
SCHEMBL16166289 0.85 BACE1 (0.37) BACE1
SCHEMBL30088370 0.81 BACE1 (0.53) BACE1
SCHEMBL16176007 0.81 BACE1 (0.53) BACE1
SCHEMBL16166148 0.80 BACE1 (0.32) BACE1
SCHEMBL16166150 0.80 BACE1 (0.32) BACE1
SCHEMBL30088443 0.80 BACE1 (0.32) BACE1
SCHEMBL16166146 0.80 BACE1 (0.32) BACE1

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-11447478-B2 BACE1 inhibitors HOFFMANN-LA ROCHE INC. (US) 2022-09-20 — — 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-11447478-B2 BACE1 inhibitors BACE1, BACE2, APP BACE1 1/4885MEN1 2611/4885POLB 1255/4885

“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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