SCHEMBL30439709

SCHEMBL30439709

CSCC[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)NCC(=O)NCC(=O)N[C@@H](CCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21)C(N)=O

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CXCL8 P10145 6/20 0.59
▸ C5AR1 P21730 1/20 0.57
▸ MC4R P32245 1/20 0.57
▸ MC5R P33032 1/20 0.57
▸ MC3R P41968 1/20 0.57
▸ MC1R Q01726 1/20 0.57
▸ CXCR4 P61073 4/20 0.56
▸ GLP1R P43220 3/20 0.55
▸ GCGR P47871 3/20 0.55
▸ NPBWR1 P48145 5/20 0.55

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
SCHEMBL30440395 0.98 CXCL8 (0.56) CXCL8C5AR1MC4RMC5RMC3R
SCHEMBL30439851 0.97 CTSL (0.56) CXCL8C5AR1MC4RMC5RMC3R
SCHEMBL30439232 0.94 CTSL (0.62) CXCL8C5AR1MC4RMC5RMC3R
SCHEMBL30439588 0.94 CTSL (0.62) CXCL8C5AR1MC4RMC5RMC3R
SCHEMBL30439707 0.94 CTSL (0.62) CXCL8C5AR1MC4RMC5RMC3R
SCHEMBL30440226 0.94 CTSL (0.62) CXCL8C5AR1MC4RMC5RMC3R
SCHEMBL30439457 0.94 CTSL (0.61) CXCL8C5AR1MC4RMC5RMC3R
SCHEMBL30439948 0.92 CTSL (0.64) CXCL8C5AR1MC4RMC5RMC3R
SCHEMBL30439951 0.92 CTSL (0.64) C5AR1CXCR4GLP1RGCGR
SCHEMBL30440054 0.92 C5AR1 (0.64) C5AR1CXCR4GLP1RGCGRNPBWR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230173086-A1 PEPTIDE CONJUGATES AND THERAPEUTIC AGENTS HAVING IMPROVED PHARMACOLOGICAL AND PHARMACOKINETIC PROPERTIES EAGLE RESOLUTE INVESTMENT LLC 2023-06-08 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20230173086-A1 PEPTIDE CONJUGATES AND THERAPEUTIC AGENTS HAVING IMPROVED PHARMACOLOGICAL AND PHARMACOKINETIC PROPERTIES VIP, DNPEP, CD74 CXCL8 377/4885C5AR1 140/4885MC4R 2486/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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