SCHEMBL31433363

SCHEMBL31433363

CC(C)C[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](CS)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)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](Cc1ccc(O)cc1)C(=O)O

nearest known ligand 0.64

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ NPBWR1 P48145 2/20 0.64
▸ IL23R Q5VWK5 15/20 0.63
▸ IL1RN P18510 1/20 0.58
▸ ERAP2 Q6P179 1/20 0.58
▸ KISS1R Q969F8 1/20 0.57
▸ CCKAR P32238 1/20 0.57
▸ CCKBR P32239 1/20 0.57
▸ OPRD1 P41143 1/20 0.57

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
SCHEMBL31433306 0.95 NPBWR1 (0.69) NPBWR1IL23R
SCHEMBL31433230 0.95 NPBWR1 (0.69) NPBWR1IL23R
SCHEMBL31696777 0.88 IL23R (0.66) NPBWR1IL23R
SCHEMBL30093092 0.88 NPBWR1 (0.65) NPBWR1IL23RIL1RNERAP2KISS1R
SCHEMBL31433263 0.87 NPBWR1 (0.65) NPBWR1IL23R
SCHEMBL31433345 0.87 NPBWR1 (0.63) NPBWR1IL23RKISS1R
SCHEMBL31399757 0.87 GHSR (0.58) NPBWR1IL23RERAP2KISS1R
SCHEMBL30372047 0.87 KISS1R (0.58) NPBWR1IL23RKISS1RCCKARCCKBR
SCHEMBL31141447 0.87 NPBWR1 (0.66) NPBWR1KISS1RCCKARCCKBROPRD1
SCHEMBL31141460 0.87 KISS1R (0.72) KISS1R

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 710/4885IL1RN 962/4885

“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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