SCHEMBL31074245

SCHEMBL31074245

C[C@@H](O)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)C(C)(C)C)C(C)(C)C)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 1/20 0.45
▸ CA2 P00918 5/20 0.38
▸ CA1 P00915 3/20 0.38
▸ MMP1 P03956 7/20 0.36
▸ MMP3 P08254 6/20 0.36
▸ MMP9 P14780 6/20 0.36
▸ MME P08473 2/20 0.36
▸ PDCD1LG2 Q9BQ51 1/20 0.36
▸ CD274 Q9NZQ7 1/20 0.36
▸ MMP2 P08253 4/20 0.34
▸ MMP8 P22894 3/20 0.34
▸ MMP7 P09237 2/20 0.34
▸ ADAM17 P78536 2/20 0.34
▸ MMP13 P45452 2/20 0.34
▸ MMP20 O60882 1/20 0.34
▸ ADAMTS4 O75173 1/20 0.34
▸ TNF P01375 1/20 0.34
▸ MMP10 P09238 1/20 0.34
▸ MMP12 P39900 1/20 0.34
▸ MMP14 P50281 1/20 0.34

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
SCHEMBL30811203 0.92 DPP4 (0.51) DPP4CA2CA1MMEPDCD1LG2
SCHEMBL30274674 0.89 CTSD (0.39) DPP4
SCHEMBL30811198 0.82 MMP1 (0.44) MMP1MMP3MMP9MMEPDCD1LG2
SCHEMBL29706290 0.80 MMP1 (0.36) CA2CA1MMP1MMP3MMP9
SCHEMBL30853669 0.79 DPP4 (0.52) DPP4CA2MMP1MMP3MMP9
SCHEMBL30274665 0.79 PSENEN (0.42) DPP4
SCHEMBL30274712 0.78 CTSD (0.39) —
SCHEMBL31520397 0.78 DPP4 (0.51) DPP4PDCD1LG2CD274
SCHEMBL3402320 0.74 DPP4 (0.50) DPP4CA2CA1MMEPDCD1LG2
SCHEMBL31174307 0.74 DPP4 (0.50) DPP4CA2CA1MMEPDCD1LG2

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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