SCHEMBL31433172

SCHEMBL31433172

CSCC[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](CO)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(=O)N[C@@H](CO)C(N)=O)C(C)C

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CAPN1 P07384 2/20 0.57
▸ CTSB P07858 2/20 0.57
▸ DPP3 Q9NY33 5/20 0.51
▸ CXCL8 P10145 6/20 0.49
▸ CTSL P07711 2/20 0.47
▸ CTSS P25774 2/20 0.47
▸ CTSK P43235 2/20 0.47
▸ CTSH P09668 1/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ MC4R P32245 1/20 0.46
▸ MC5R P33032 1/20 0.46
▸ MC3R P41968 1/20 0.46
▸ MC1R Q01726 1/20 0.46
▸ NTSR2 O95665 1/20 0.46
▸ NTSR1 P30989 1/20 0.46
▸ SORT1 Q99523 1/20 0.46
▸ APLNR P35414 1/20 0.46

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
SCHEMBL31433370 0.87 CXCL8 (0.57) CAPN1CTSBDPP3CXCL8
SCHEMBL31433384 0.87 C5AR1 (0.56) CXCL8CTSLCTSSCTSKMC4R
SCHEMBL31247348 0.82 CAPN1 (0.57) CAPN1CTSBDPP3CXCL8CTSL
SCHEMBL31247466 0.82 CAPN1 (0.60) CAPN1CTSBCXCL8CTSLCTSS
SCHEMBL31247542 0.82 CAPN1 (0.60) CAPN1CTSBCXCL8CTSLCTSS
SCHEMBL31247512 0.81 CAPN1 (0.57) CAPN1CTSBCXCL8CTSLCTSS
SCHEMBL31433316 0.81 CAPN1 (0.61) CAPN1CTSBNTSR2NTSR1SORT1
SCHEMBL31249421 0.80 CAPN1 (0.56) CAPN1CTSBDPP3CXCL8MC4R
SCHEMBL31357907 0.80 CAPN1 (0.57) CAPN1CTSBDPP3CXCL8NTSR2
SCHEMBL13697496 0.79 CXCR4 (0.56) CAPN1CTSBDPP3CXCL8NTSR2

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 CAPN1 3160/4885CTSB 337/4885DPP3 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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