SCHEMBL31433250

SCHEMBL31433250

CSCC[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](CS)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CS)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)NCC(=O)N[C@@H](CCCCN)C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 3/20 0.60
▸ CTSS P25774 3/20 0.60
▸ CTSK P43235 3/20 0.60
▸ CXCR4 P61073 9/20 0.60
▸ CTSH P09668 1/20 0.59
▸ IL23R Q5VWK5 2/20 0.55
▸ C5AR1 P21730 1/20 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
▸ GLP1R P43220 3/20 0.53
▸ GCGR P47871 3/20 0.53

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
SCHEMBL31433264 0.96 CXCR4 (0.58) CTSLCTSSCTSKCXCR4CTSH
SCHEMBL31433441 0.96 CXCR4 (0.58) CTSLCTSSCTSKCXCR4CTSH
SCHEMBL31433346 0.95 CXCR4 (0.59) CTSLCTSSCTSKCXCR4CTSH
SCHEMBL31433222 0.94 CTSL (0.60) CTSLCTSSCTSKCXCR4CTSH
SCHEMBL31433350 0.93 CXCR4 (0.57) CTSLCTSSCTSKCXCR4CTSH
SCHEMBL31433253 0.93 CXCR4 (0.61) CTSLCTSSCTSKCXCR4IL23R
SCHEMBL31433213 0.92 CXCR4 (0.59) CTSLCTSSCTSKCXCR4CTSH
SCHEMBL31433232 0.91 CXCR4 (0.58) CXCR4IL23RC5AR1MC4RMC5R
SCHEMBL31433330 0.90 CXCR4 (0.64) CXCR4IL23RC5AR1
SCHEMBL31433258 0.90 CXCR4 (0.52) CTSLCTSSCTSKCXCR4CTSH

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 CTSL 588/4885CTSS 603/4885CTSK 197/4885

“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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