SCHEMBL1024168

SCHEMBL1024168

CC(C)(C)OC(=O)NCC(O)CNC(=O)C[C@H](CCCCNC(=O)OCc1ccccc1)N(Cc1ccccc1)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.51
SYK P43405 1/20 0.48
KLK7 P49862 2/20 0.47
KLK5 Q9Y337 2/20 0.47
FOLH1 Q04609 2/20 0.44
ABCB1 P08183 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
TPSAB1 Q15661 2/20 0.42
TPSD1 Q9BZJ3 2/20 0.42
TPSG1 Q9NRR2 2/20 0.42
ITGB3 P05106 1/20 0.42
ITGA2B P08514 1/20 0.42
L3MBTL1 Q9Y468 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
SCHEMBL1021954 0.84 SYK (0.51) MAPTSYKKLK7KLK5FOLH1
SCHEMBL1024008 0.83 KMT2A (0.48) MAPTSYKMEN1KMT2A
SCHEMBL4853602 0.81 SYK (0.47) MAPTSYKKLK7KLK5MEN1
SCHEMBL1072867 0.81 SYK (0.47) MAPTSYKKLK7KLK5MEN1
SCHEMBL7026898 0.80 SYK (0.70) MAPTSYK
SCHEMBL30500935 0.80 SYK (0.70) MAPTSYK
SCHEMBL7910002 0.80 SYK (0.70) MAPTSYK
SCHEMBL31236485 0.79 SYK (0.58) MAPTSYKKLK7KLK5MEN1
SCHEMBL13480455 0.79 SYK (0.66) MAPTSYKKLK7KLK5ABCB1
SCHEMBL1020978 0.78 MEN1 (0.46) MAPTSYKMEN1KMT2A

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
EP-1797110-B1 ANTIBACTERIAL AMIDE MACROCYCLES IV AICURIS GMBH & CO KG (DE) 2011-01-12 EP 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 (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-20080076745-A1 ANTIBACTERIAL AMIDE MACROCYCLES IV NOD2, AAAS, AADAC MAPT 4356/4885SYK 3060/4885KLK7 3789/4885

“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.