SCHEMBL31433257

SCHEMBL31433257

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

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 3/20 0.54
▸ CTSS P25774 3/20 0.54
▸ CTSK P43235 3/20 0.54
▸ CTSH P09668 1/20 0.54
▸ CXCR4 P61073 8/20 0.51
▸ GRPR P30550 1/20 0.51
▸ IL23R Q5VWK5 2/20 0.50
▸ KISS1R Q969F8 5/20 0.50

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
SCHEMBL31433441 0.91 CXCR4 (0.58) CTSLCTSSCTSKCTSHCXCR4
SCHEMBL31433264 0.91 CXCR4 (0.58) CTSLCTSSCTSKCTSHCXCR4
SCHEMBL31433350 0.88 CXCR4 (0.57) CTSLCTSSCTSKCTSHCXCR4
SCHEMBL31433213 0.87 CXCR4 (0.59) CTSLCTSSCTSKCTSHCXCR4
SCHEMBL31433250 0.87 CTSL (0.60) CTSLCTSSCTSKCTSHCXCR4
SCHEMBL31433222 0.87 CTSL (0.60) CTSLCTSSCTSKCTSHCXCR4
SCHEMBL31433346 0.86 CXCR4 (0.59) CTSLCTSSCTSKCTSHCXCR4
SCHEMBL31433232 0.85 CXCR4 (0.58) CXCR4IL23R
SCHEMBL31433253 0.85 CXCR4 (0.61) CTSLCTSSCTSKCXCR4IL23R
SCHEMBL29838088 0.85 CXCR4 (0.61) CTSLCTSSCTSKCTSHCXCR4

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 CTSL 588/4885CTSS 603/4885CTSK 197/4885

“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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