SCHEMBL6754841

SCHEMBL6754841

CC(C)C[C@@H]1NC(=O)C(NC(=O)[C@H](CCCNC(N)=O)NC(=O)C(C)C)[C@@H]2CC(C)[C@H](NC(=O)[C@H](Cc3ccc(O)cc3)N(C)C(=O)C(c3ccccc3)N3C(=O)C(CC[C@@H]3O)NC1=O)C(=O)O2

nearest known ligand 0.60

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KLK7 P49862 3/20 0.60
PLG P00747 1/20 0.49
F11 P03951 1/20 0.49
HTRA1 Q92743 8/20 0.47
ELANE P08246 4/20 0.45
F2 P00734 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
SCHEMBL6754840 0.90 KLK7 (0.70) KLK7PLGF11HTRA1ELANE
SCHEMBL13823022 0.88 KLK7 (0.77) KLK7PLGF11HTRA1ELANE
SCHEMBL13815042 0.84 KLK7 (0.72) KLK7PLGF11HTRA1ELANE
SCHEMBL17066721 0.83 KLK7 (0.79) KLK7PLGF11HTRA1ELANE
SCHEMBL13815041 0.83 KLK7 (0.79) KLK7PLGF11HTRA1ELANE
SCHEMBL11961105 0.75 KLK7 (0.67) KLK7PLGF11HTRA1ELANE
SCHEMBL18698808 0.75 KLK7 (1.00) KLK7PLGF11ELANEF2
SCHEMBL18698806 0.75 KLK7 (1.00) KLK7PLGF11ELANEF2
SCHEMBL18395341 0.75 KLK7 (1.00) KLK7PLGF11ELANEF2
SCHEMBL15524570 0.75 KLK7 (1.00) KLK7PLGF11ELANEF2

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 KLK7 3/4885PLG 48/4885F11 173/4885

“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.