Sugi Predict

Sugi Predict / Compounds / SCHEMBL29660489

SCHEMBL29660489

SCHEMBL29660489

CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)O

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ C5AR1 P21730 2/20 0.64
▸ CXCL8 P10145 10/20 0.57
▸ MC4R P32245 1/20 0.56
▸ MC5R P33032 1/20 0.56
▸ MC3R P41968 1/20 0.56
▸ MC1R Q01726 1/20 0.56
▸ CTSL P07711 3/20 0.55
▸ CTSS P25774 3/20 0.55
▸ CTSK P43235 3/20 0.55
▸ CTSH P09668 1/20 0.55
▸ OPRM1 P35372 2/20 0.53
▸ OPRD1 P41143 1/20 0.53
▸ KISS1R Q969F8 1/20 0.53

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
SCHEMBL31265190 0.94 C5AR1 (0.61) C5AR1CXCL8MC4RMC5RMC3R
SCHEMBL30439204 0.90 C5AR1 (0.66) C5AR1CXCL8MC4RMC5RMC3R
SCHEMBL30367722 0.88 OPRM1 (0.60) C5AR1OPRM1OPRD1
SCHEMBL26426326 0.88 CTSL (0.65) CXCL8CTSLCTSSCTSKCTSH
SCHEMBL25665363 0.88 CTSL (0.69) C5AR1CXCL8MC4RMC5RMC3R
SCHEMBL30355006 0.87 C5AR1 (0.64) C5AR1CTSLCTSSCTSKCTSH
SCHEMBL31053728 0.87 KISS1R (0.56) C5AR1CXCL8CTSLCTSSCTSK
SCHEMBL25664212 0.86 CTSL (0.68) C5AR1CXCL8MC4RMC5RMC3R
SCHEMBL31127566 0.86 OPRM1 (0.60) C5AR1OPRM1OPRD1
SCHEMBL30675106 0.86 CTSL (0.59) C5AR1CXCL8CTSLCTSSCTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250242039-A1 TOXIN-DERIVED DELIVERY CONSTRUCTS THORNHILL THERAPEUTICS INC (US) 2025-07-31 — — US disclosed
US-20240299565-A1 TOXIN-DERIVED DELIVERY CONSTRUCTS APPLIED MOLECULAR TRANSPORT INC. 2024-09-12 — — US disclosed
EP-4316586-A2 TOXIN-DERIVED DELIVERY CONSTRUCTS FOR ORAL DELIVERY Applied Molecular Transport Inc. (US) 2024-02-07 — — EP disclosed
EP-4082558-B1 TOXIN-DERIVED DELIVERY CONSTRUCTS FOR ORAL DELIVERY APPLIED MOLECULAR TRANSPORT INC (US) 2023-08-23 — — EP disclosed
US-20230158163-A1 TOXIN-DERIVED DELIVERY CONSTRUCTS THORNHILL THERAPEUTICS, INC. 2023-05-25 — — US disclosed
EP-4082558-A1 TOXIN-DERIVED DELIVERY CONSTRUCTS FOR ORAL DELIVERY Applied Molecular Transport Inc. (US) 2022-11-02 — — EP disclosed
US-11426466-B2 Toxin-derived delivery constructs for pulmonary delivery APPLIED MOLECULAR TRANSPORT INC. (US) 2022-08-30 — — US disclosed
EP-3762009-B1 TOXIN-DERIVED DELIVERY CONSTRUCTS FOR ORAL DELIVERY APPLIED MOLECULAR TRANSPORT INC (US) 2022-05-11 — — EP disclosed
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