SCHEMBL31433256

SCHEMBL31433256

CC(C)C[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](CS)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)NCC(=O)NCC(=O)N[C@@H](CCCCN)C(=O)O)[C@@H](C)O)C(C)C

nearest known ligand 0.62

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ IL23R Q5VWK5 3/20 0.62
▸ CXCR4 P61073 9/20 0.62
▸ C5AR1 P21730 1/20 0.57
▸ CALCA P06881 2/20 0.57
▸ NPY1R P25929 1/20 0.54
▸ NPY2R P49146 1/20 0.54
▸ NPY4R P50391 1/20 0.54
▸ NPY5R Q15761 1/20 0.54
▸ RAMP3 O60896 3/20 0.53
▸ CALCR P30988 3/20 0.53

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
SCHEMBL31433346 0.94 CXCR4 (0.59) IL23RCXCR4C5AR1
SCHEMBL31433347 0.91 KISS1R (0.56) IL23RCXCR4C5AR1
SCHEMBL29436331 0.90 IL23R (0.70) IL23RCXCR4C5AR1NPY1RNPY2R
SCHEMBL31433253 0.90 CXCR4 (0.61) IL23RCXCR4C5AR1CALCA
SCHEMBL31433232 0.90 CXCR4 (0.58) IL23RCXCR4C5AR1
SCHEMBL31433330 0.90 CXCR4 (0.64) IL23RCXCR4C5AR1CALCANPY1R
SCHEMBL31433169 0.90 IL23R (0.66) IL23R
SCHEMBL31433250 0.89 CTSL (0.60) IL23RCXCR4C5AR1
SCHEMBL31433316 0.89 CAPN1 (0.61) IL23RCXCR4CALCA
SCHEMBL31433337 0.89 RAMP3 (0.55) IL23RCXCR4RAMP3CALCR

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 IL23R 710/4885CXCR4 429/4885C5AR1 1505/4885

“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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