SCHEMBL4883784

SCHEMBL4883784

CC(C)(C)OC(=O)N[C@@H](CCCNC(=O)OCc1ccccc1)CCC(=O)O

nearest known ligand 0.61

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.61
HTT P42858 1/20 0.59
SYK P43405 1/20 0.57
FOLH1 Q04609 8/20 0.57
ITGB3 P05106 1/20 0.54
ITGA2B P08514 1/20 0.54
KLK7 P49862 2/20 0.52
KLK5 Q9Y337 2/20 0.52
ATM Q13315 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
SCHEMBL4893683 0.97 MAPT (0.65) MAPTHTTSYKFOLH1ITGB3
SCHEMBL16279057 0.90 MAPT (0.62) MAPTHTTSYKFOLH1ITGB3
SCHEMBL1024150 0.90 MAPT (0.62) MAPTHTTSYKFOLH1ITGB3
SCHEMBL6649466 0.90 HTT (0.69) HTTFOLH1
SCHEMBL16286152 0.89 SYK (0.69) MAPTHTTSYKFOLH1ITGB3
SCHEMBL21789935 0.89 MAPT (0.63) MAPTHTTSYKFOLH1ITGB3
SCHEMBL2512643 0.89 MAPT (0.63) MAPTHTTSYKFOLH1ITGB3
SCHEMBL21790401 0.89 MAPT (0.63) MAPTHTTSYKFOLH1ITGB3
SCHEMBL19295567 0.88 SYK (0.71) MAPTHTTSYKFOLH1ITGB3
SCHEMBL16286211 0.87 MAPT (0.61) MAPTHTTSYKFOLH1ITGB3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080306040-A1 Antibacterial amide macrocycles VII AICURIS GMBH & CO. KG (DE) 2008-12-11 US disclosed
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 (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-20080275018-A1 ANTIBACTERIAL AMIDE-MACROCYCLES V ARG1, HRH3, H1-0 MAPT 4840/4885HTT 1449/4885SYK 2058/4885
US-20080306040-A1 Antibacterial amide macrocycles VII AADAC, AAAS, NOD2 MAPT 4392/4885HTT 2020/4885SYK 3247/4885

“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.