Sugi Predict

Sugi Predict / Compounds / SCHEMBL30570441

SCHEMBL30570441

SCHEMBL30570441

CSCC[C@H](NC(=O)C(C)(C)NC(=O)[C@@H](CC(=O)O)NC(=O)[C@H](Cc1cccc2ccccc12)NC(=O)[C@@H]1CCCN1C(=O)C(C)(C)N)C(=O)N[C@@H](CCCCNC(=N)N)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NC(C)(C)C(=O)O)[C@@H](C)O

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CXCL8 P10145 6/20 0.49
▸ CXCR4 P61073 2/20 0.48
▸ GCGR P47871 7/20 0.48
▸ GIPR P48546 7/20 0.48
▸ GLP1R P43220 7/20 0.48
▸ MC4R P32245 1/20 0.46
▸ MC5R P33032 1/20 0.46
▸ MC3R P41968 1/20 0.46
▸ MC1R Q01726 1/20 0.46
▸ PTH1R Q03431 1/20 0.46
▸ CTSL P07711 2/20 0.45
▸ CTSS P25774 2/20 0.45
▸ CTSK P43235 2/20 0.45
▸ CTSH P09668 1/20 0.45

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
SCHEMBL30894383 0.87 CXCR4 (0.56) CXCL8CXCR4MC4RMC5RMC3R
SCHEMBL31544537 0.86 CXCR4 (0.58) CXCL8CXCR4GCGRGLP1RMC4R
SCHEMBL30582469 0.77 CTSL (0.57) CXCL8CXCR4MC4RMC5RMC3R
SCHEMBL31410653 0.76 CXCR4 (0.56) CXCL8CXCR4MC4RMC5RMC3R
SCHEMBL30777636 0.74 CTSL (0.57) CXCL8CXCR4MC4RMC5RMC3R
SCHEMBL31247554 0.74 CAPN1 (0.54) CXCL8GCGRGIPRGLP1R
SCHEMBL31247320 0.74 CAPN1 (0.53) CXCL8GCGRGIPRGLP1RCTSL
SCHEMBL31247583 0.74 CAPN1 (0.57) CXCL8GCGRGIPRGLP1R
SCHEMBL32679440 0.73 CXCR4 (0.65) CXCL8CXCR4CTSLCTSSCTSK
SCHEMBL30804655 0.72 CXCR4 (0.66) CXCL8CXCR4GCGRGLP1RCTSL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117136066-A Nectin-4 targeting peptide compounds and drug conjugates thereof 上海智肽生物科技有限公司 2023-11-28 — — CN disclosed
CN-116768978-A Nectin-4 targeting peptide compounds and drug conjugates thereof 上海智肽生物科技有限公司 2023-09-19 — — CN disclosed
WO-2023169584-A1 NECTIN-4 TARGETING PEPTIDE COMPOUND AND DRUG CONJUGATE THEREOF 上海智肽生物科技有限公司 2023-09-14 — — WO disclosed
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