SCHEMBL30517763

SCHEMBL30517763

CC[C@H](C)[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCSC)NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CC(C)C)[C@@H](C)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@@H](CCC(=O)O)C(=O)O)[C@@H](C)O

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ KEAP1 Q14145 1/20 0.57
▸ GLP1R P43220 8/20 0.56
▸ CXCL8 P10145 5/20 0.56
▸ CXCR4 P61073 3/20 0.56
▸ NPY1R P25929 1/20 0.54
▸ NPY2R P49146 1/20 0.54
▸ NPY4R P50391 1/20 0.54
▸ NPY5R Q15761 1/20 0.54
▸ GCGR P47871 1/20 0.54
▸ GIPR P48546 1/20 0.54

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
SCHEMBL30576953 0.90 KEAP1 (0.60) KEAP1GLP1RCXCL8CXCR4NPY1R
SCHEMBL5710842 0.85 CXCR4 (0.60) KEAP1GLP1RCXCR4NPY1RNPY2R
SCHEMBL30320533 0.85 CXCR4 (0.60) KEAP1GLP1RCXCR4NPY1RNPY2R
SCHEMBL31182988 0.85 NPY2R (0.71) KEAP1GLP1RNPY1RNPY2RNPY4R
SCHEMBL31182837 0.85 CXCR4 (0.67) KEAP1GLP1RCXCR4NPY1RNPY2R
SCHEMBL31182989 0.85 NPY1R (0.67) GLP1RCXCL8NPY1RNPY2RNPY4R
SCHEMBL30658222 0.85 NPY1R (0.69) GLP1RCXCR4NPY1RNPY2RNPY4R
SCHEMBL31575690 0.85 CXCR4 (0.63) GLP1RCXCR4NPY1RNPY2RNPY4R
SCHEMBL31182795 0.85 CXCL8 (0.63) KEAP1GLP1RCXCL8NPY1RNPY2R
SCHEMBL30690109 0.84 CXCL8 (0.58) CXCL8CXCR4

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250064834-A1 COMPOSITIONS AND METHODS FOR TREATMENT AND PREVENTION OF DISEASES UTILIZING TIRILAZAD SALTS PRENDERGAST PATRICK T (IE) 2025-02-27 — — US disclosed
EP-4475853-A1 COMPOSITIONS AND METHODS FOR TREATMENT AND PREVENTION OF DISEASES UTILIZING TIRILAZAD SALTS Prendergast, Patrick T. (IE) 2024-12-18 — — EP disclosed
CN-118804754-A Compositions and methods for treating and preventing diseases using tirapazad salts 帕特里克·T·普伦德加斯特 2024-10-18 — — CN disclosed
WO-2023154647-A1 COMPOSITIONS AND METHODS FOR TREATMENT AND PREVENTION OF DISEASES UTILIZING TIRILAZAD SALTS PRENDERGAST PATRICK T (IE) 2023-08-17 — — WO 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-20250064834-A1 COMPOSITIONS AND METHODS FOR TREATMENT AND PREVENTION OF DISEASES UTILIZING TIRILAZAD SALTS CYP24A1, IL23R, IL17A KEAP1 3244/4885GLP1R 3610/4885CXCL8 2386/4885

“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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