SCHEMBL10065571

SCHEMBL10065571

CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCSC)NC(C)=O)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(C)=O)C(C)C

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CAPN1 P07384 3/20 0.44
▸ NTSR1 P30989 5/20 0.43
▸ NTSR2 O95665 2/20 0.43
▸ TASP1 Q9H6P5 1/20 0.42
▸ NPY1R P25929 2/20 0.41
▸ NPY2R P49146 1/20 0.41
▸ NPY4R P50391 1/20 0.41
▸ NPY5R Q15761 1/20 0.41
▸ CALCR P30988 2/20 0.41
▸ BACE1 P56817 2/20 0.41
▸ SORT1 Q99523 1/20 0.41
▸ CTSD P07339 1/20 0.41
▸ STAT3 P40763 1/20 0.41
▸ CXCL8 P10145 1/20 0.41

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
SCHEMBL10066227 0.95 CAPN1 (0.46) CAPN1NTSR1NTSR2NPY1RNPY2R
SCHEMBL12985549 0.94 CAPN1 (0.46) CAPN1NTSR1NTSR2TASP1NPY1R
SCHEMBL30872266 0.83 CAPN1 (0.47) CAPN1NTSR1NTSR2TASP1NPY1R
SCHEMBL31688307 0.82 CALCR (0.49) CAPN1NTSR1NPY1RNPY2RNPY4R
SCHEMBL30185038 0.82 XIAP (0.51) CAPN1NTSR1NTSR2TASP1NPY1R
SCHEMBL30872268 0.81 CAPN1 (0.46) CAPN1NTSR1CXCL8
SCHEMBL12984785 0.81 CAPN1 (0.43) CAPN1NTSR1NPY1RNPY2RNPY4R
SCHEMBL31688350 0.81 CALCR (0.50) CAPN1NTSR1NPY1RNPY2RNPY4R
SCHEMBL30185029 0.80 NTSR1 (0.45) CAPN1NTSR1CXCL8
SCHEMBL30872272 0.80 CAPN1 (0.49) CAPN1STAT3

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-20120165211-A1 Human Antibodies Cross-Reacting With A Bacterial And A Self Antigen From Atherosclerotic Plaques BRACCO IMAGING S.P.A. (IT) 2012-06-28 — — 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-20120165211-A1 Human Antibodies Cross-Reacting With A Bacterial And A Self Antigen From Atherosclerotic Plaques TAGLN2, TTN, TXLNA CAPN1 2006/4885NTSR1 3820/4885NTSR2 4486/4885

“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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