SCHEMBL31433263

SCHEMBL31433263

CC(C)C[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](CS)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CS)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)NCC(=O)N[C@@H](CCCCN)C(=O)O

nearest known ligand 0.65

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ NPBWR1 P48145 13/20 0.65
▸ IL23R Q5VWK5 5/20 0.58
▸ GRPR P30550 1/20 0.56
▸ CXCR4 P61073 1/20 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
SCHEMBL31433282 0.95 IL23R (0.60) NPBWR1IL23RGRPRCXCR4
SCHEMBL31433230 0.93 NPBWR1 (0.69) NPBWR1IL23R
SCHEMBL31433306 0.93 NPBWR1 (0.69) NPBWR1IL23R
SCHEMBL30598170 0.91 NPBWR1 (0.61) NPBWR1IL23R
SCHEMBL31433169 0.91 IL23R (0.66) IL23R
SCHEMBL31433253 0.91 CXCR4 (0.61) NPBWR1IL23RCXCR4
SCHEMBL31433345 0.91 NPBWR1 (0.63) NPBWR1IL23RGRPR
SCHEMBL31399757 0.91 GHSR (0.58) NPBWR1IL23R
SCHEMBL29988116 0.90 NPBWR1 (0.61) NPBWR1IL23R
SCHEMBL31433168 0.89 IL23R (0.64) IL23R

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 NPBWR1 1473/4885IL23R 710/4885GRPR 564/4885

“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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