SCHEMBL6730028

SCHEMBL6730028

CC(C)CC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H]1C(=O)N[C@@H](CC(C)C)C(=O)NC2CC[C@H](O)N(C2=O)[C@@H](Cc2ccccc2)C(=O)N(C)[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](C(C)C)C(=O)O[C@@H]1C

nearest known ligand 0.73

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PLG P00747 1/20 0.73
F11 P03951 1/20 0.73
ELANE P08246 5/20 0.73
KLK7 P49862 3/20 0.73
F2 P00734 1/20 0.59
HTRA1 Q92743 6/20 0.59

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
Nostopeptin Bn920 SCHEMBL13518016 0.95 KLK7 (0.74) PLGF11ELANEKLK7F2
Micropeptin T1 SCHEMBL29885250 0.92 PLG (0.84) PLGF11ELANEKLK7F2
SCHEMBL6756788 0.90 ELANE (0.62) PLGF11ELANEKLK7F2
SCHEMBL13815042 0.89 KLK7 (0.72) PLGF11ELANEKLK7F2
Micropeptin C SCHEMBL29884628 0.88 PLG (0.87) PLGF11ELANEKLK7F2
Micropeptin D SCHEMBL29884439 0.88 PLG (0.86) PLGF11ELANEKLK7F2
SCHEMBL29884697 0.88 KLK7 (0.79) PLGF11ELANEKLK7F2
SCHEMBL6729492 0.87 KLK7 (0.95) PLGF11ELANEKLK7F2
SCHEMBL6730022 0.87 KLK7 (0.88) PLGF11ELANEKLK7F2
Cyanopeptolin 963A SCHEMBL29884137 0.86 PLG (0.78) PLGF11ELANEKLK7F2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8178650-B2 Cyclic depsipeptides NOVARTIS AG (CH) 2012-05-15 US disclosed
US-20090156472-A1 Cyclic Depsipeptides NOVARTIS AG (CH) 2009-06-18 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-20090156472-A1 Cyclic Depsipeptides SERPINB1, ELANE, KLK7 PLG 48/4885F11 173/4885ELANE 2/4885

“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.