SCHEMBL31433287

SCHEMBL31433287

CC(C)C[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](CS)C(=O)N[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CS)C(=O)N[C@@H](Cc1ccccc1)C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ KISS1R Q969F8 8/20 0.59
▸ CXCR4 P61073 7/20 0.58
▸ DPP3 Q9NY33 1/20 0.54
▸ CXCL8 P10145 1/20 0.53
▸ IL23R Q5VWK5 1/20 0.53
▸ MAPK8 P45983 1/20 0.52
▸ MAPK9 P45984 1/20 0.52
▸ MAPK10 P53779 1/20 0.52
▸ NMUR2 Q9GZQ4 1/20 0.51
▸ NMUR1 Q9HB89 1/20 0.51

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
SCHEMBL31433330 0.92 CXCR4 (0.64) CXCR4IL23R
SCHEMBL30646312 0.89 KISS1R (0.65) KISS1RCXCR4CXCL8
SCHEMBL38652302 0.89 CXCR4 (0.59) KISS1RCXCR4DPP3
SCHEMBL29416065 0.89 KISS1R (0.65) KISS1RCXCR4CXCL8
SCHEMBL29350708 0.89 DPP3 (0.64) KISS1RCXCR4DPP3IL23R
SCHEMBL31409436 0.88 CXCR4 (0.63) KISS1RCXCR4CXCL8IL23RMAPK8
SCHEMBL31409438 0.88 CXCR4 (0.63) KISS1RCXCR4CXCL8IL23RMAPK8
SCHEMBL30288110 0.88 KISS1R (0.61) KISS1RCXCR4DPP3
SCHEMBL31433347 0.88 KISS1R (0.56) KISS1RCXCR4DPP3IL23RMAPK8
SCHEMBL31452905 0.87 CXCR4 (0.62) KISS1RCXCR4IL23R

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 KISS1R 1078/4885CXCR4 429/4885DPP3 882/4885

“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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