SCHEMBL1023604

SCHEMBL1023604

CC(C)(C)OC(=O)NCCN(C(=O)OC(C)(C)C)[C@@H](CCCN)C(=O)NC(=O)CNC(=O)OCc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TPSAB1 Q15661 2/20 0.44
TPSD1 Q9BZJ3 2/20 0.44
TPSG1 Q9NRR2 2/20 0.44
MAPT P10636 1/20 0.44
SYK P43405 1/20 0.42
FOLH1 Q04609 2/20 0.40
KLK7 P49862 2/20 0.40
KLK5 Q9Y337 2/20 0.40
CPB1 P15086 1/20 0.40
CPB2 Q96IY4 1/20 0.40
SLC1A3 P43003 1/20 0.39
SLC1A1 P43005 1/20 0.39
MAPK1 P28482 1/20 0.39
BACE1 P56817 1/20 0.38

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
SCHEMBL4853178 0.82 TPSAB1 (0.47) TPSAB1TPSD1TPSG1MAPTSYK
SCHEMBL4848153 0.81 TPSAB1 (0.47) TPSAB1TPSD1TPSG1MAPTSYK
SCHEMBL7451829 0.81 FOLH1 (0.47) TPSAB1TPSD1TPSG1MAPTSYK
SCHEMBL1021431 0.81 MAPT (0.48) MAPTKLK7KLK5CPB1CPB2
SCHEMBL4852331 0.77 MAPT (0.46) MAPTKLK7KLK5CPB1CPB2
SCHEMBL21460905 0.77 MAPT (0.51) TPSAB1TPSD1TPSG1MAPTSYK
SCHEMBL21460902 0.77 MAPT (0.51) TPSAB1TPSD1TPSG1MAPTSYK
SCHEMBL4857153 0.77 SIRT2 (0.47) TPSAB1MAPTSYKKLK7KLK5
SCHEMBL4847771 0.76 MEN1 (0.38)
SCHEMBL8911004 0.75 SYK (0.47) TPSAB1TPSD1TPSG1MAPTSYK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1797110-B1 ANTIBACTERIAL AMIDE MACROCYCLES IV AICURIS GMBH & CO KG (DE) 2011-01-12 EP disclosed
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 TPSAB1 3589/4885TPSD1 4342/4885TPSG1 4397/4885
US-20080275018-A1 ANTIBACTERIAL AMIDE-MACROCYCLES V ARG1, HRH3, H1-0 TPSAB1 3984/4885TPSD1 4010/4885TPSG1 4657/4885

“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.