Sugi Predict

Sugi Predict / Compounds / SCHEMBL29695500

SCHEMBL29695500

SCHEMBL29695500

CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CC(C)C)[C@@H](C)O)C(C)C)[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 0.61
▸ BACE2 Q9Y5Z0 4/20 0.56
▸ CTSD P07339 1/20 0.54

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
SCHEMBL30437477 0.91 BACE1 (0.67) BACE1BACE2CTSD
SCHEMBL30433044 0.87 BACE1 (0.66) BACE1BACE2CTSD
SCHEMBL30906345 0.87 BACE1 (0.65) BACE1BACE2CTSD
SCHEMBL30665615 0.87 BACE1 (0.63) BACE1BACE2CTSD
SCHEMBL29699573 0.86 BACE1 (0.64) BACE1BACE2CTSD
SCHEMBL30082062 0.85 BACE1 (0.61) BACE1BACE2
SCHEMBL29591318 0.84 BACE1 (0.59) BACE1BACE2CTSD
SCHEMBL30512564 0.84 BACE1 (0.72) BACE1BACE2CTSD
SCHEMBL31696738 0.84 BACE1 (0.56) BACE1BACE2CTSD
SCHEMBL30906524 0.83 BACE1 (0.57) BACE1BACE2

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
EP-4267193-A1 IMPROVED CD30 TARGETING ANTIBODY DRUG CONJUGATES AND USES THEREOF Ludwig-Maximilians-Universität München (DE) 2023-11-01 — — EP disclosed
WO-2022136555-A9 IMPROVED CD30 TARGETING ANTIBODY DRUG CONJUGATES AND USES THEREOF LUDWIG-MAXIMILIANS-UNIVERSITAET MUENCHEN (DE) 2022-09-22 — — WO disclosed
WO-2022136555-A1 IMPROVED CD30 TARGETING ANTIBODY DRUG CONJUGATES AND USES THEREOF LUDWIG-MAXIMILIANS-UNIVERSITAET MUENCHEN (DE) 2022-06-30 — — WO disclosed
Send feedback