SCHEMBL31433264

SCHEMBL31433264

CSCC[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](CS)C(=O)NCC(=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 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CXCR4 P61073 9/20 0.58
▸ CTSL P07711 3/20 0.55
▸ CTSS P25774 3/20 0.55
▸ CTSK P43235 3/20 0.55
▸ IL23R Q5VWK5 2/20 0.55
▸ CTSH P09668 1/20 0.54
▸ C5AR1 P21730 1/20 0.53
▸ MC4R P32245 1/20 0.53
▸ MC5R P33032 1/20 0.53
▸ MC3R P41968 1/20 0.53
▸ MC1R Q01726 1/20 0.53
▸ APLNR P35414 1/20 0.52
▸ GLP1R P43220 2/20 0.52
▸ GCGR P47871 2/20 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
SCHEMBL31433441 1.00 CXCR4 (0.58) CXCR4CTSLCTSSCTSKIL23R
SCHEMBL31433350 0.97 CXCR4 (0.57) CXCR4CTSLCTSSCTSKIL23R
SCHEMBL31433213 0.96 CXCR4 (0.59) CXCR4CTSLCTSSCTSKIL23R
SCHEMBL31433250 0.96 CTSL (0.60) CXCR4CTSLCTSSCTSKIL23R
SCHEMBL31433222 0.96 CTSL (0.60) CXCR4CTSLCTSSCTSKIL23R
SCHEMBL31433346 0.95 CXCR4 (0.59) CXCR4CTSLCTSSCTSKIL23R
SCHEMBL31433253 0.95 CXCR4 (0.61) CXCR4CTSLCTSSCTSKIL23R
SCHEMBL31433232 0.95 CXCR4 (0.58) CXCR4IL23RC5AR1MC4RMC5R
SCHEMBL31433258 0.93 CXCR4 (0.52) CXCR4CTSLCTSSCTSKCTSH
SCHEMBL29838088 0.92 CXCR4 (0.61) CXCR4CTSLCTSSCTSKIL23R

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 CXCR4 429/4885CTSL 588/4885CTSS 603/4885

“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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