SCHEMBL31074242

SCHEMBL31074242

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

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ TGFBR1 P36897 3/20 0.48
▸ DPP4 P27487 1/20 0.47
▸ MME P08473 7/20 0.46
▸ ECE1 P42892 2/20 0.38
▸ ACE P12821 1/20 0.38
▸ CA2 P00918 3/20 0.37
▸ CA1 P00915 2/20 0.37
▸ ALDH1A1 P00352 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ PTGS1 P23219 1/20 0.36

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
SCHEMBL30861836 0.86 MAPT (0.52) TGFBR1DPP4MMEACECA2
SCHEMBL29511591 0.84 ACE (0.58) DPP4ECE1ACECA2CA1
SCHEMBL5875696 0.82 DPP4 (0.45) DPP4MMEECE1ACE
SCHEMBL25859232 0.82 DPP4 (0.45) DPP4MMEECE1ACE
SCHEMBL6674368 0.79 TGFBR1 (0.52) TGFBR1DPP4MMEECE1ACE
SCHEMBL28124001 0.79 TGFBR1 (0.52) TGFBR1DPP4MMEECE1ACE
SCHEMBL4561648 0.79 MME (0.54) TGFBR1DPP4MMEECE1ACE
SCHEMBL7123861 0.79 MME (0.54) TGFBR1DPP4MMEECE1ACE
SCHEMBL7123863 0.79 MME (0.54) TGFBR1DPP4MMEECE1ACE
SCHEMBL30416190 0.79 MME (0.54) TGFBR1DPP4MMEECE1ACE

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-4650362-A1 NEUROPROTECTIVE PSD-95 POLYPEPTIDE INHIBITOR AND USE THEREOF Beijing Tuo Jie Biopharmaceutical Co. Ltd. (CN) 2025-11-19 — — EP claimed
WO-2024149230-A1 NEUROPROTECTIVE PSD-95 POLYPEPTIDE INHIBITOR AND USE THEREOF 北京拓界生物医药科技有限公司 2024-07-18 — — WO claimed
EP-4650362-A1 NEUROPROTECTIVE PSD-95 POLYPEPTIDE INHIBITOR AND USE THEREOF Beijing Tuo Jie Biopharmaceutical Co. Ltd. (CN) 2025-11-19 — — EP disclosed
WO-2024149230-A1 NEUROPROTECTIVE PSD-95 POLYPEPTIDE INHIBITOR AND USE THEREOF 北京拓界生物医药科技有限公司 2024-07-18 — — WO disclosed
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