SCHEMBL31433357

SCHEMBL31433357

CC(C)C[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](CS)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CS)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)NCC(=O)N[C@@H](CCCCN)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ TFPI P10646 1/20 0.54
▸ IL23R Q5VWK5 3/20 0.50
▸ NPY4R P50391 7/20 0.49
▸ NPY1R P25929 6/20 0.49
▸ NPY2R P49146 6/20 0.49
▸ NPY5R Q15761 6/20 0.49
▸ OPRL1 P41146 2/20 0.49
▸ NPBWR1 P48145 1/20 0.49
▸ QRFPR Q96P65 1/20 0.49
▸ OPRM1 P35372 1/20 0.48
▸ OPRD1 P41143 1/20 0.48
▸ OPRK1 P41145 1/20 0.48

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
SCHEMBL31433365 0.95 TFPI (0.54) TFPIIL23RNPY4RNPY1RNPY2R
SCHEMBL31433189 0.93 IL23R (0.53) IL23RNPY4RNPY1RNPY2RNPY5R
SCHEMBL29939684 0.91 TFPI (0.57) TFPIIL23RNPY4RNPY1RNPY2R
SCHEMBL31433319 0.91 IL23R (0.52) TFPIIL23RNPY4RNPY1RNPY5R
SCHEMBL31433367 0.90 OPRM1 (0.49) TFPIOPRL1NPBWR1OPRM1OPRD1
SCHEMBL31437674 0.90 NPY4R (0.57) TFPINPY4RNPY1RNPY2RNPY5R
SCHEMBL31433235 0.90 APLNR (0.50) TFPIIL23RNPY4RNPY1RNPY2R
SCHEMBL29568797 0.89 NPY4R (0.54) TFPIIL23RNPY4RNPY1RNPY2R
SCHEMBL31433226 0.88 TFPI (0.48) TFPIIL23R
SCHEMBL31437671 0.88 NPY4R (0.57) TFPINPY4RNPY1RNPY2RNPY5R

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 TFPI 2582/4885IL23R 710/4885NPY4R 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.

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