SCHEMBL30439940

SCHEMBL30439940

CC(C)C[C@H](N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=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(C)C

nearest known ligand 0.60

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ C5AR1 P21730 2/20 0.60
▸ CXCR4 P61073 13/20 0.58
▸ IL23R Q5VWK5 1/20 0.55
▸ GLP1R P43220 4/20 0.52
▸ GIPR P48546 4/20 0.52

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
SCHEMBL30439854 0.92 IL23R (0.65) C5AR1CXCR4IL23RGLP1RGIPR
SCHEMBL30440014 0.91 IL23R (0.59) C5AR1CXCR4IL23RGLP1RGIPR
SCHEMBL30439942 0.91 C5AR1 (0.61) C5AR1CXCR4GLP1R
SCHEMBL30439794 0.91 C5AR1 (0.60) C5AR1CXCR4GLP1R
SCHEMBL30439693 0.90 C5AR1 (0.65) C5AR1CXCR4IL23RGLP1R
SCHEMBL30439604 0.90 C5AR1 (0.64) C5AR1CXCR4GLP1R
SCHEMBL30440019 0.89 C5AR1 (0.66) C5AR1CXCR4IL23RGLP1RGIPR
SCHEMBL30439709 0.88 CXCL8 (0.59) C5AR1CXCR4GLP1R
SCHEMBL30440071 0.88 C5AR1 (0.63) C5AR1CXCR4IL23RGLP1RGIPR
SCHEMBL30439962 0.88 C5AR1 (0.61) C5AR1CXCR4GLP1RGIPR

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 C5AR1 140/4885CXCR4 762/4885IL23R 175/4885

“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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