SCHEMBL4884444

SCHEMBL4884444

CC(C)(C)OC(=O)N[C@@H](CCCNC(=O)OCc1ccccc1)C(=O)NCCC[C@@H](CC(=O)NCCNC(=O)O)NC(=O)OCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KLK7 P49862 2/20 0.53
KLK5 Q9Y337 2/20 0.53
MAPT P10636 1/20 0.51
SIRT2 Q8IXJ6 3/20 0.50
SIRT1 Q96EB6 1/20 0.50
SYK P43405 1/20 0.49
CTSL P07711 1/20 0.48
CTSS P25774 1/20 0.48
CPB1 P15086 1/20 0.47
CPB2 Q96IY4 1/20 0.47
CAPN1 P07384 1/20 0.47
CAPN2 P17655 1/20 0.47
ITGB3 P05106 1/20 0.47
ITGA2B P08514 1/20 0.47

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
SCHEMBL4883932 0.91 SYK (0.59) KLK7KLK5MAPTSIRT2SIRT1
SCHEMBL1024654 0.89 KLK7 (0.49) KLK7KLK5MAPTSIRT2SIRT1
SCHEMBL4857149 0.87 MAPT (0.58) KLK7KLK5MAPTSIRT2SIRT1
SCHEMBL25502674 0.85 MAPT (0.60) KLK7KLK5MAPTSIRT2SIRT1
SCHEMBL30902907 0.85 MAPT (0.65) KLK7KLK5MAPTSIRT2SIRT1
SCHEMBL30902797 0.85 MAPT (0.62) KLK7KLK5MAPTSIRT2SIRT1
SCHEMBL14320294 0.84 SYK (0.57) KLK7KLK5MAPTSIRT2SIRT1
SCHEMBL14320293 0.84 SYK (0.57) KLK7KLK5MAPTSIRT2SIRT1
SCHEMBL5996732 0.84 CTSK (0.61) KLK7KLK5MAPTCTSLCTSS
SCHEMBL8646821 0.83 HTT (0.56) SIRT2SIRT1

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-20080275018-A1 ANTIBACTERIAL AMIDE-MACROCYCLES V AICURIS GMBH & CO. KG (DE) 2008-11-06 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-20080275018-A1 ANTIBACTERIAL AMIDE-MACROCYCLES V ARG1, HRH3, H1-0 KLK7 4300/4885KLK5 4270/4885MAPT 4840/4885

“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.