SCHEMBL31433273

SCHEMBL31433273

CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](N)CC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 10/20 0.59
BACE2 Q9Y5Z0 4/20 0.59
NPY4R P50391 6/20 0.58
NPY1R P25929 5/20 0.58
NPY2R P49146 3/20 0.58
PTPN1 P18031 3/20 0.55
NPY5R Q15761 5/20 0.52
CTSD P07339 1/20 0.51

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
SCHEMBL30512662 0.93 NPY4R (0.62) BACE1BACE2NPY4RNPY1RNPY2R
SCHEMBL32677746 0.93 BACE1 (0.59) BACE1BACE2NPY4RNPY1RNPY2R
SCHEMBL30647291 0.93 BACE1 (0.59) BACE1BACE2NPY4RNPY1RNPY2R
SCHEMBL31353030 0.91 NPY4R (0.57) BACE1BACE2NPY4RNPY1RNPY2R
SCHEMBL30607418 0.91 BACE1 (0.60) BACE1BACE2NPY4RNPY1RNPY2R
SCHEMBL30320569 0.91 BACE1 (0.58) BACE1BACE2CTSD
SCHEMBL30799753 0.90 NPY4R (0.66) NPY4RNPY1RNPY2RNPY5R
SCHEMBL31433352 0.90 NPY4R (0.59) NPY4RNPY1RNPY2RNPY5R
SCHEMBL30880877 0.90 BACE1 (0.59) BACE1BACE2NPY4RNPY1RNPY2R
SCHEMBL30130346 0.90 BACE1 (0.57) BACE1BACE2PTPN1CTSD

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 BACE1 2095/4885BACE2 3003/4885NPY4R 1616/4885

“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.