SCHEMBL31433352

SCHEMBL31433352

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](CS)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NPY4R P50391 13/20 0.59
NPY1R P25929 8/20 0.59
NPY5R Q15761 7/20 0.59
NPY2R P49146 4/20 0.59
TFPI P10646 1/20 0.55
VIPR2 P41587 5/20 0.55
VIPR1 P32241 3/20 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
SCHEMBL31433249 0.96 NPY4R (0.63) NPY4RNPY1RNPY5RNPY2RTFPI
SCHEMBL29979938 0.92 TFPI (0.61) NPY4RNPY1RNPY5RNPY2RTFPI
SCHEMBL31676913 0.91 VIPR1 (0.63) TFPIVIPR2VIPR1
SCHEMBL31676914 0.91 VIPR1 (0.63) TFPIVIPR2VIPR1
SCHEMBL31433273 0.90 BACE1 (0.59) NPY4RNPY1RNPY5RNPY2R
SCHEMBL29531034 0.89 NPY4R (0.64) NPY4RNPY1RNPY5RNPY2R
SCHEMBL30512630 0.89 NPY4R (0.63) NPY4RNPY1RNPY5RNPY2RTFPI
SCHEMBL29979398 0.88 TFPI (0.59) NPY4RNPY1RNPY5RNPY2RTFPI
SCHEMBL30567795 0.88 NPY4R (0.71) NPY4RNPY1RNPY5RNPY2RVIPR2
SCHEMBL29530945 0.88 NPY4R (0.65) NPY4RNPY1RNPY5RNPY2R

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 NPY4R 1616/4885NPY1R 2353/4885NPY5R 3645/4885

“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.