SCHEMBL15524570

SCHEMBL15524570

CCC(C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)N(C)C(=O)[C@H](C(C)CC)N2C(=O)[C@H](CC[C@H]2O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)C(C)C)[C@@H](C)OC1=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KLK7 P49862 3/20 1.00
PLG P00747 1/20 0.59
F11 P03951 1/20 0.59
ELANE P08246 4/20 0.58
F2 P00734 3/20 0.57
PRSS1 P07477 5/20 0.53
PRSS2 P07478 5/20 0.53
PRSS3 P35030 5/20 0.53

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
SCHEMBL6729131 1.00 KLK7 (1.00) KLK7PLGF11ELANEF2
SCHEMBL18395341 1.00 KLK7 (1.00) KLK7PLGF11ELANEF2
SCHEMBL13562895 1.00 KLK7 (1.00) KLK7PLGF11ELANEF2
SCHEMBL18698806 1.00 KLK7 (1.00) KLK7PLGF11ELANEF2
SCHEMBL19336662 1.00 KLK7 (1.00) KLK7PLGF11ELANEF2
SCHEMBL18698808 1.00 KLK7 (1.00) KLK7PLGF11ELANEF2
SCHEMBL15081576 1.00 KLK7 (1.00) KLK7PLGF11ELANEF2
SCHEMBL13554878 1.00 KLK7 (1.00) KLK7PLGF11ELANEF2
SCHEMBL6729197 0.97 KLK7 (0.95) KLK7PLGF11ELANEF2
SCHEMBL14845603 0.97 KLK7 (0.95) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9493512-B2 Solution phase processes for the manufacture of macrocyclic depsipeptides and new intermediates NOVARTIS AG (CH) 2016-11-15 US disclosed
US-9278997-B2 Processes for the manufacture of macrocyclic depsipeptides and new intermediates NOVARTIS AG (CH) 2016-03-08 US disclosed
US-20140080995-A1 Processes for the Manufacture of Macrocyclic Depsipeptides and New Intermediates NOVARTIS AG (CH) 2014-03-20 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-20140080995-A1 Processes for the Manufacture of Macrocyclic Depsipeptides and New Intermediates VIP, NPPA, PTMS KLK7 1205/4885PLG 1440/4885F11 806/4885

“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.