SCHEMBL12035824

SCHEMBL12035824

C[C@@H]1C[C@@H](COS(C)(=O)=O)CC[C@H]1O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 1/20 0.31
▸ BUB1 O43683 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
SCHEMBL6426337 0.84 MAOB (0.39) —
SCHEMBL12095606 0.84 MAOB (0.39) —
SCHEMBL13379250 0.84 MAOB (0.39) —
SCHEMBL2939389 0.84 MAOB (0.39) —
SCHEMBL2939388 0.84 MAOB (0.39) —
SCHEMBL12035819 0.81 SLC18A3 (0.34) —
SCHEMBL21827291 0.81 BACE1 (0.35) BACE1BUB1
SCHEMBL12035830 0.81 BACE1 (0.30) BACE1
SCHEMBL12035833 0.81 CYSLTR2 (0.34) BACE1
SCHEMBL27040293 0.80 SMYD2 (0.37) BACE1BUB1

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-20110312990-A1 Diamine Derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-12-22 — — US disclosed
US-20110077266-A1 Diamine Derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-03-31 — — 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 (2 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-20110077266-A1 Diamine Derivatives F2, TFPI, F3 BACE1 2450/4885BUB1 1593/4885
US-20110312990-A1 Diamine Derivatives C9, C1S, C1R BACE1 1672/4885BUB1 599/4885

“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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