SCHEMBL30706293

SCHEMBL30706293

CSCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@@H](N)CS)[C@@H](C)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CS)C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CXCR4 P61073 5/20 0.62
▸ CTSL P07711 3/20 0.56
▸ CTSS P25774 3/20 0.56
▸ CTSK P43235 3/20 0.56
▸ CTSH P09668 1/20 0.55
▸ MC4R P32245 1/20 0.54
▸ MC5R P33032 1/20 0.54
▸ MC3R P41968 1/20 0.54
▸ MC1R Q01726 1/20 0.54
▸ C5AR1 P21730 1/20 0.53
▸ CXCL8 P10145 5/20 0.52
▸ IL23R Q5VWK5 1/20 0.52
▸ GLP1R P43220 3/20 0.52
▸ GCGR P47871 3/20 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
SCHEMBL30804655 0.87 CXCR4 (0.66) CXCR4CTSLCTSSCTSKCTSH
SCHEMBL30992038 0.85 CTSL (0.59) CXCR4CTSLCTSSCTSKCTSH
SCHEMBL29394617 0.85 CXCR4 (0.71) CXCR4MC4RMC5RMC3RMC1R
SCHEMBL29614906 0.84 C5AR1 (0.58) CXCR4MC4RMC5RMC3RMC1R
SCHEMBL31452904 0.84 CTSL (0.62) CXCR4CTSLCTSSCTSKCTSH
SCHEMBL30582469 0.84 CTSL (0.57) CXCR4CTSLCTSSCTSKCTSH
SCHEMBL31433222 0.84 CTSL (0.60) CXCR4CTSLCTSSCTSKCTSH
SCHEMBL30450633 0.83 DPP3 (0.57) CXCL8
SCHEMBL31452901 0.83 CXCR4 (0.67) CXCR4C5AR1CXCL8IL23R
SCHEMBL29476509 0.83 KISS1R (0.55) CXCR4CTSLCTSSCTSKCTSH

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-20240002547-A1 THERAPEUTIC MULTI-TARGETING CONSTRUCTS AND USES THEREOF AEBI LTD (IL) 2024-01-04 — — 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-20240002547-A1 THERAPEUTIC MULTI-TARGETING CONSTRUCTS AND USES THEREOF CD47, GZMB, CD44 CXCR4 893/4885CTSL 638/4885CTSS 495/4885

“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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