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Sugi Predict / Compounds / SCHEMBL30608594

SCHEMBL30608594

SCHEMBL30608594

CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H](N)CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)O)C(C)C

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CAPN1 P07384 2/20 0.54
▸ CTSB P07858 2/20 0.54
▸ CXCR4 P61073 7/20 0.52
▸ GRPR P30550 2/20 0.52
▸ GLP1R P43220 6/20 0.52
▸ GIPR P48546 6/20 0.52
▸ C5AR1 P21730 1/20 0.51
▸ NTSR2 O95665 1/20 0.50
▸ NTSR1 P30989 1/20 0.50
▸ SORT1 Q99523 1/20 0.50

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
SCHEMBL30608599 0.98 GRPR (0.55) CAPN1CTSBCXCR4GRPRGLP1R
SCHEMBL30608567 0.95 CAPN1 (0.60) CAPN1CTSBCXCR4GRPRGLP1R
SCHEMBL30608592 0.95 CAPN1 (0.60) CAPN1CTSBCXCR4GRPRGLP1R
SCHEMBL30608621 0.92 CAPN1 (0.50) CAPN1CTSBCXCR4GRPRGLP1R
SCHEMBL30608611 0.92 CAPN1 (0.50) CAPN1CTSBCXCR4GRPRGLP1R
SCHEMBL30608625 0.92 CAPN1 (0.56) CAPN1CTSBGRPRGLP1RGIPR
SCHEMBL30608568 0.91 GRPR (0.56) CAPN1CTSBGRPRNTSR2NTSR1
SCHEMBL30608600 0.91 CAPN1 (0.51) CAPN1CTSBCXCR4GRPRGLP1R
SCHEMBL30608581 0.91 CAPN1 (0.55) CAPN1CTSBGLP1RGIPRNTSR2
SCHEMBL30608565 0.91 CAPN1 (0.59) CAPN1CTSBCXCR4GLP1RGIPR

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
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