Sugi Predict

Sugi Predict / Compounds / SCHEMBL6558968

SCHEMBL6558968

SCHEMBL6558968

CC[C@H](C)[C@H](NC(=O)[C@@H](N)C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)[C@@H](O)[C@@H](O)[C@H](O)C(=O)N[C@@H](CC(=O)O)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CTSD P07339 20/20 0.50
▸ REN P00797 1/20 0.42

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
SCHEMBL6558962 1.00 CTSD (0.50) CTSDREN
SCHEMBL6559358 0.94 CTSD (0.45) CTSD
SCHEMBL29711383 0.93 METAP2 (0.44) CTSD
SCHEMBL6560488 0.93 METAP2 (0.44) CTSD
SCHEMBL6559357 0.93 METAP2 (0.44) CTSD
SCHEMBL6559302 0.92 CTSD (0.43) CTSD
SCHEMBL6559308 0.92 CTSD (0.43) CTSD
Hydrochloric Acid SCHEMBL6558816 0.92 METAP2 (0.43) CTSD
Hydrochloric Acid SCHEMBL6558938 0.86 METAP2 (0.43) CTSDREN
SCHEMBL7787138 0.86 METAP2 (0.43) CTSD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0998488-B1 POLYOL-AMINO ACID COMPOUNDS HAVING ANTI-HELICOBACTER PYLORI ACTIVITY TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2004-03-17 — — EP claimed
US-6423869-B1 BACTERICIDES, ANTIULCER AGENTS TAKEDA CHEMICAL INDUSTRIES, INC. (JP) 2002-07-23 — — US claimed
EP-0998488-B1 POLYOL-AMINO ACID COMPOUNDS HAVING ANTI-HELICOBACTER PYLORI ACTIVITY TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2004-03-17 — — EP disclosed
US-6423869-B1 BACTERICIDES, ANTIULCER AGENTS TAKEDA CHEMICAL INDUSTRIES, INC. (JP) 2002-07-23 — — US disclosed