SCHEMBL30439854

SCHEMBL30439854

CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@H](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)[C@@H](C)O

nearest known ligand 0.65

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ IL23R Q5VWK5 1/20 0.65
▸ C5AR1 P21730 2/20 0.61
▸ GLP1R P43220 14/20 0.56
▸ GIPR P48546 14/20 0.56
▸ CXCR4 P61073 2/20 0.54
▸ MC4R P32245 1/20 0.54
▸ MC5R P33032 1/20 0.54
▸ MC3R P41968 1/20 0.54
▸ MC1R Q01726 1/20 0.54

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
SCHEMBL30440014 0.96 IL23R (0.59) IL23RC5AR1GLP1RGIPRCXCR4
SCHEMBL30440071 0.93 C5AR1 (0.63) IL23RC5AR1GLP1RGIPRCXCR4
SCHEMBL30439940 0.92 C5AR1 (0.60) IL23RC5AR1GLP1RGIPRCXCR4
SCHEMBL30440395 0.92 CXCL8 (0.56) C5AR1GLP1RCXCR4MC4RMC5R
SCHEMBL30440019 0.91 C5AR1 (0.66) IL23RC5AR1GLP1RGIPRCXCR4
SCHEMBL30440054 0.90 C5AR1 (0.64) IL23RC5AR1GLP1RCXCR4
SCHEMBL30439851 0.90 CTSL (0.56) C5AR1GLP1RGIPRMC4RMC5R
SCHEMBL30439709 0.90 CXCL8 (0.59) C5AR1GLP1RCXCR4MC4RMC5R
SCHEMBL30439789 0.90 C5AR1 (0.65) IL23RC5AR1GLP1RCXCR4MC4R
SCHEMBL30439693 0.89 C5AR1 (0.65) IL23RC5AR1GLP1RCXCR4

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 IL23R 175/4885C5AR1 140/4885GLP1R 501/4885

“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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