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Sugi Predict / Compounds / SCHEMBL30608596

SCHEMBL30608596

SCHEMBL30608596

CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H](N)CCC(N)=O)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)O)[C@@H](C)O

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CAPN1 P07384 3/20 0.49
▸ RAMP3 O60896 8/20 0.45
▸ CALCR P30988 8/20 0.45
▸ CTSB P07858 1/20 0.45
▸ NTSR1 P30989 1/20 0.45
▸ STAT3 P40763 1/20 0.44
▸ NAA50 Q9GZZ1 1/20 0.44
▸ NMUR2 Q9GZQ4 3/20 0.43
▸ NMUR1 Q9HB89 3/20 0.43
▸ F2 P00734 2/20 0.43

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
SCHEMBL30608602 0.87 NAA50 (0.48) CAPN1NTSR1STAT3NAA50NMUR2
SCHEMBL30608603 0.86 NAA50 (0.51) CAPN1CALCRNTSR1NAA50NMUR2
SCHEMBL30608585 0.86 CAPN1 (0.47) CAPN1NTSR1STAT3NAA50NMUR2
SCHEMBL30608623 0.86 CAPN1 (0.47) CAPN1NTSR1STAT3NAA50NMUR2
SCHEMBL30608579 0.86 NAA50 (0.48) CAPN1RAMP3CALCRCTSBNTSR1
SCHEMBL30608629 0.84 NAA50 (0.51) CAPN1RAMP3CALCRNTSR1NAA50
SCHEMBL30608626 0.83 NAA50 (0.53) CAPN1RAMP3CALCRNTSR1NAA50
SCHEMBL30608595 0.83 NAA50 (0.50) CAPN1CALCRNTSR1NAA50
SCHEMBL31191354 0.82 NAA50 (0.49) RAMP3CALCRNTSR1NAA50F2
SCHEMBL31542107 0.82 CAPN1 (0.49) CAPN1RAMP3CALCRCTSBNAA50

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4646232-A1 VARIANT LIGAND CONJUGATES FOR PAYLOAD DELIVERY Université de Genève (CH) 2025-11-12 — — EP claimed
WO-2024146707-A1 VARIANT LIGAND CONJUGATES FOR PAYLOAD DELIVERY UNIVERSITÉ DE GENÈVE (CH) 2024-07-11 — — WO claimed
EP-4646232-A1 VARIANT LIGAND CONJUGATES FOR PAYLOAD DELIVERY Université de Genève (CH) 2025-11-12 — — EP disclosed
US-20250090637-A1 METHODS OF INHIBITING CEREBRAL INFLAMMATION UNIVERSITÉ DE GENÈVE (CH) 2025-03-20 — — US disclosed
CN-112469429-B Use of CCR5 inhibitors in cancer treatment 奥立安生物技术瑞士有限责任公司 2025-02-14 — — CN disclosed
CN-112469430-B Method for inhibiting cerebral inflammation 日内瓦大学 2024-12-24 — — CN disclosed
WO-2024146707-A1 VARIANT LIGAND CONJUGATES FOR PAYLOAD DELIVERY UNIVERSITÉ DE GENÈVE (CH) 2024-07-11 — — WO disclosed
EP-3813870-B1 CCR5 INHIBITOR FOR USE IN TREATING CANCER ORION Biotechnology Switzerland Sarl (CH) 2023-11-15 — — EP disclosed
EP-3813869-B1 CCR5 INHIBITOR FOR USE IN TREATING A NEUROINFLAMMATORY DISORDER THAT INVOLVES CEREBRAL INFLAMMATION UNIV GENEVE (CH) 2023-10-18 — — EP disclosed