SCHEMBL4857149

SCHEMBL4857149

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

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.58
CTSS P25774 4/20 0.58
CTSL P07711 2/20 0.58
KLK7 P49862 2/20 0.58
KLK5 Q9Y337 2/20 0.58
SYK P43405 1/20 0.57
CTSK P43235 2/20 0.56
SIRT2 Q8IXJ6 2/20 0.54
SIRT1 Q96EB6 2/20 0.54
SIRT3 Q9NTG7 2/20 0.54
CTSB P07858 1/20 0.53
CAPN1 P07384 1/20 0.53
CAPN2 P17655 1/20 0.53
CPB1 P15086 1/20 0.53
CPB2 Q96IY4 1/20 0.53
MMP1 P03956 1/20 0.53
MMP3 P08254 1/20 0.53
MMP9 P14780 1/20 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
SCHEMBL30902907 0.95 MAPT (0.65) MAPTCTSSKLK7KLK5CTSK
SCHEMBL30902797 0.95 MAPT (0.62) MAPTCTSSCTSLKLK7KLK5
SCHEMBL12148814 0.93 MAPT (0.62) MAPTKLK7KLK5SIRT2SIRT1
SCHEMBL29579727 0.92 LMNA (0.57) MAPTCTSSCTSLKLK7KLK5
SCHEMBL29579745 0.92 LMNA (0.57) MAPTCTSSCTSLKLK7KLK5
SCHEMBL5996732 0.92 CTSK (0.61) MAPTCTSSCTSLKLK7KLK5
SCHEMBL25502674 0.91 MAPT (0.60) MAPTCTSSCTSLKLK7KLK5
SCHEMBL16124431 0.91 MAPT (0.60) MAPTCTSSCTSLKLK7KLK5
SCHEMBL1021938 0.90 SYK (0.60) MAPTCTSSCTSLKLK7KLK5
SCHEMBL4958981 0.90 SYK (0.60) MAPTCTSSCTSLKLK7KLK5

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-20080275018-A1 ANTIBACTERIAL AMIDE-MACROCYCLES V AICURIS GMBH & CO. KG (DE) 2008-11-06 US disclosed
US-7446102-B2 Antibacterial amide macrocycles IV AICURIS GMBH & CO. KG (DE) 2008-11-04 US disclosed
US-20080076745-A1 ANTIBACTERIAL AMIDE MACROCYCLES IV AICURIS GMBH & CO. KG (DE) 2008-03-27 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 (2 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-20080076745-A1 ANTIBACTERIAL AMIDE MACROCYCLES IV NOD2, AAAS, AADAC MAPT 4356/4885CTSS 107/4885CTSL 99/4885
US-20080275018-A1 ANTIBACTERIAL AMIDE-MACROCYCLES V ARG1, HRH3, H1-0 MAPT 4840/4885CTSS 1049/4885CTSL 572/4885

“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.