SCHEMBL5136258

SCHEMBL5136258

CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)O

nearest known ligand 0.67

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CTSS P25774 5/20 0.67
▸ CTSK P43235 4/20 0.67
▸ CTSB P07858 2/20 0.67
▸ CTSL P07711 1/20 0.67
▸ ACE P12821 1/20 0.64
▸ REN P00797 4/20 0.59
▸ AKT1 P31749 1/20 0.58
▸ PPARA Q07869 2/20 0.56
▸ PPARG P37231 1/20 0.56
▸ L3MBTL1 Q9Y468 1/20 0.55
▸ APP P05067 1/20 0.54
▸ MME P08473 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
SCHEMBL8902979 0.95 ACE (0.67) CTSSCTSKCTSBCTSLACE
SCHEMBL8902975 0.95 ACE (0.67) CTSSCTSKCTSBCTSLACE
SCHEMBL29484189 0.94 ACE (0.72) CTSSCTSKCTSBCTSLACE
SCHEMBL21219305 0.94 ACE (0.72) CTSSCTSKCTSBCTSLACE
SCHEMBL30688549 0.94 ACE (0.72) CTSSCTSKCTSBCTSLACE
SCHEMBL9551322 0.94 ACE (0.72) CTSSCTSKCTSBCTSLACE
SCHEMBL2367371 0.94 ACE (0.72) CTSSCTSKCTSBCTSLACE
SCHEMBL15671562 0.94 ACE (0.72) CTSSCTSKCTSBCTSLACE
SCHEMBL10050068 0.94 ACE (0.72) CTSSCTSKCTSBCTSLACE
SCHEMBL29612217 0.93 REN (0.69) CTSSCTSKCTSBCTSLACE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118894900-A Beta carboline oral small-molecule anti-inflammatory medicament as well as preparation method and application thereof 首都医科大学 2024-11-05 — — CN claimed
CN-116804040-B Carboline oral small molecule anti-inflammatory medicament and preparation method and application thereof 首都医科大学 2024-08-06 — — CN claimed
CN-116804040-A Carboline oral small molecule anti-inflammatory medicament and preparation method and application thereof 首都医科大学 2023-09-26 — — CN claimed
US-12492422-B2 Ex vivo protease activity detection for disease detection/diagnostic, staging, monitoring and treatment Sunbird Bio, Inc. (US) 2025-12-09 — — US disclosed
CN-118894900-A Beta carboline oral small-molecule anti-inflammatory medicament as well as preparation method and application thereof 首都医科大学 2024-11-05 — — CN disclosed
CN-116804040-B Carboline oral small molecule anti-inflammatory medicament and preparation method and application thereof 首都医科大学 2024-08-06 — — CN disclosed
CN-116804040-A Carboline oral small molecule anti-inflammatory medicament and preparation method and application thereof 首都医科大学 2023-09-26 — — CN disclosed
US-20220128567-A1 EX VIVO PROTEASE ACTIVITY DETECTION FOR DISEASE DETECTION/DIAGNOSTIC, STAGING, MONITORING AND TREATMENT Sunbird Bio, Inc. 2022-04-28 — — US disclosed
EP-2007794-A1 LYSOBACTIN AMIDES AiCuris GmbH & Co. KG (DE) 2008-12-31 — — EP disclosed
WO-2007118691-A1 LYSOBACTIN AMIDES AICURIS GMBH & CO. KG (DE) 2007-10-25 — — WO disclosed
Send feedback