SCHEMBL30440071

SCHEMBL30440071

C[C@@H](O)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)Cc1ccccc1)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 0.63

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ C5AR1 P21730 2/20 0.63
▸ IL23R Q5VWK5 1/20 0.55
▸ GLP1R P43220 11/20 0.55
▸ GCGR P47871 9/20 0.55
▸ CTSL P07711 3/20 0.54
▸ CTSS P25774 3/20 0.54
▸ CTSK P43235 3/20 0.54
▸ CTSH P09668 1/20 0.52
▸ GIPR P48546 6/20 0.52
▸ CXCR4 P61073 1/20 0.51
▸ NMBR P28336 1/20 0.50
▸ GRPR P30550 1/20 0.50

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
SCHEMBL30440019 0.98 C5AR1 (0.66) C5AR1IL23RGLP1RGCGRCTSL
SCHEMBL30439962 0.96 C5AR1 (0.61) C5AR1GLP1RGCGRCTSLCTSS
SCHEMBL30440054 0.94 C5AR1 (0.64) C5AR1IL23RGLP1RGCGRCTSL
SCHEMBL30440014 0.94 IL23R (0.59) C5AR1IL23RGLP1RGIPRCXCR4
SCHEMBL30439794 0.93 C5AR1 (0.60) C5AR1GLP1RGCGRCTSLCTSS
SCHEMBL30439951 0.93 CTSL (0.64) C5AR1GLP1RGCGRCTSLCTSS
SCHEMBL30439693 0.93 C5AR1 (0.65) C5AR1IL23RGLP1RGCGRCTSL
SCHEMBL30439854 0.93 IL23R (0.65) C5AR1IL23RGLP1RGIPRCXCR4
SCHEMBL30439192 0.93 C5AR1 (0.63) C5AR1GLP1RGCGRCTSLCTSS
SCHEMBL30439613 0.92 C5AR1 (0.65) C5AR1IL23RGLP1RGCGRCTSL

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 140/4885IL23R 175/4885GLP1R 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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