SCHEMBL16508539

SCHEMBL16508539

CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](C)CO)[C@@H](C)O)[C@@H](C)O)C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 16/20 0.58
▸ BACE2 Q9Y5Z0 4/20 0.58
▸ CTSD P07339 2/20 0.55

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
SCHEMBL16508506 0.90 BACE1 (0.53) BACE1BACE2CTSD
SCHEMBL16508536 0.88 ALDH1A1 (0.54) BACE1BACE2CTSD
SCHEMBL6377734 0.85 BACE1 (0.61) BACE1BACE2CTSD
SCHEMBL6377728 0.85 BACE1 (0.61) BACE1BACE2CTSD
SCHEMBL30903463 0.85 BACE1 (0.67) BACE1BACE2CTSD
SCHEMBL31307282 0.83 BACE1 (0.58) BACE1BACE2CTSD
SCHEMBL29939570 0.83 OPRM1 (0.56) BACE1BACE2
SCHEMBL30312074 0.83 BACE1 (0.55) BACE1BACE2CTSD
SCHEMBL29772150 0.82 BACE1 (0.62) BACE1BACE2CTSD
SCHEMBL29860241 0.82 OPRM1 (0.60) BACE1BACE2CTSD

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-20110300167-A1 CXCR5 RECEPTOR COMPOUNDS ANCHOR THERAPEUTICS, INC. 2011-12-08 — — 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-20110300167-A1 CXCR5 RECEPTOR COMPOUNDS CXCR5, CXCR1, CCR5 BACE1 3391/4885BACE2 3865/4885CTSD 3756/4885

“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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