SCHEMBL31433384

SCHEMBL31433384

CSCC[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](CS)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)N[C@@H](CS)C(=O)N[C@@H](CO)C(=O)NCC(=O)NCC(=O)N[C@@H](CCCCN)C(=O)O)C(C)C

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ C5AR1 P21730 2/20 0.56
▸ MC4R P32245 2/20 0.55
▸ MC5R P33032 2/20 0.55
▸ MC3R P41968 2/20 0.55
▸ MC1R Q01726 2/20 0.55
▸ CXCR4 P61073 9/20 0.54
▸ IL23R Q5VWK5 1/20 0.52
▸ APLNR P35414 1/20 0.50
▸ CTSL P07711 1/20 0.49
▸ CTSS P25774 1/20 0.49
▸ CTSK P43235 1/20 0.49
▸ CXCL8 P10145 1/20 0.49
▸ NTSR2 O95665 1/20 0.49
▸ NTSR1 P30989 1/20 0.49
▸ SORT1 Q99523 1/20 0.49

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
SCHEMBL31433346 0.92 CXCR4 (0.59) C5AR1MC4RMC5RMC3RMC1R
SCHEMBL31433280 0.91 CXCL8 (0.56) C5AR1MC4RMC5RMC3RMC1R
SCHEMBL31433258 0.88 CXCR4 (0.52) CXCR4CTSLCTSSCTSKCXCL8
SCHEMBL31433172 0.87 CAPN1 (0.57) MC4RMC5RMC3RMC1RAPLNR
SCHEMBL31433250 0.87 CTSL (0.60) C5AR1MC4RMC5RMC3RMC1R
SCHEMBL31433222 0.86 CTSL (0.60) C5AR1MC4RMC5RMC3RMC1R
SCHEMBL31433441 0.86 CXCR4 (0.58) C5AR1MC4RMC5RMC3RMC1R
SCHEMBL31433264 0.86 CXCR4 (0.58) C5AR1MC4RMC5RMC3RMC1R
SCHEMBL31433256 0.85 IL23R (0.62) C5AR1CXCR4IL23R
SCHEMBL31433301 0.85 C5AR1 (0.60) C5AR1CXCR4IL23RAPLNRCTSL

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-20250074942-A1 COMPOSITIONS AND METHODS FOR COVALENT PEPTIDE-BASED MODULATORS OF HLA-E CALICO LIFE SCIENCES LLC (US) 2025-03-06 — — 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-20250074942-A1 COMPOSITIONS AND METHODS FOR COVALENT PEPTIDE-BASED MODULATORS OF HLA-E MICA, CD74, HLA-DRB1 C5AR1 1505/4885MC4R 2740/4885MC5R 4400/4885

“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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