Sugi Predict

Sugi Predict / Compounds / Ceruletide

Ceruletide

Ceruletide

SCHEMBL511740

CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(OS(=O)(=O)O)cc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCC(=O)N1)[C@@H](C)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O.O=C(O)c1cc(O)c2ccccc2n1

nearest known ligand 0.62

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

CCKAR

The experimentally established mechanism targets of Ceruletide. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ CCKAR known ✓ P32238 9/20 0.62
▸ CCKBR P32239 18/20 0.62
▸ IL23R Q5VWK5 2/20 0.55

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
Ceruletide SCHEMBL29520 0.94 CCKBR (0.69) CCKBRCCKARIL23R
Ceruletide SCHEMBL23148172 0.94 CCKBR (0.69) CCKBRCCKARIL23R
Ceruletide SCHEMBL8963088 0.93 CCKBR (0.67) CCKBRCCKARIL23R
Ceruletide SCHEMBL122757 0.92 CCKBR (0.66) CCKBRCCKARIL23R
Ceruletide SCHEMBL6836302 0.89 CCKBR (0.62) CCKBRCCKARIL23R
SCHEMBL11217188 0.86 CCKBR (0.64) CCKBRCCKARIL23R
Ceruletide SCHEMBL20774551 0.86 CCKBR (0.58) CCKBRCCKARIL23R
Ceruletide SCHEMBL20775134 0.85 CCKBR (0.52) CCKBRCCKARIL23R
Caerulin SCHEMBL29597850 0.80 CCKBR (0.80) CCKBRCCKARIL23R
Ceruletide SCHEMBL8200799 0.80 CCKBR (0.50) CCKBRCCKARIL23R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120029015-A1 Novel medical use of kynurenic acid, its precursors and derivatives MARCINIAK ANDRZEJ (PL) 2012-02-02 — — US disclosed
WO-2010110689-A1 A NOVEL MEDICAL USE OF KYNURENIC ACID, ITS PRECURSORS AND DERIVATIVES MARCINIAK ANDRZEJ (PL) 2010-09-30 — — 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-20120029015-A1 Novel medical use of kynurenic acid, its precursors and derivatives FFAR3, FFAR2, HCAR2 CCKAR 36/4885CCKBR 162/4885IL23R 195/4885

“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.