SCHEMBL4893683

SCHEMBL4893683

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

nearest known ligand 0.65

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.65
FOLH1 Q04609 8/20 0.61
HTT P42858 1/20 0.58
ITGB3 P05106 1/20 0.57
ITGA2B P08514 1/20 0.57
SYK P43405 1/20 0.56
KLK7 P49862 2/20 0.56
KLK5 Q9Y337 2/20 0.56

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
SCHEMBL4883784 0.97 MAPT (0.61) MAPTFOLH1HTTITGB3ITGA2B
SCHEMBL1022850 0.91 MAPT (0.66) MAPTFOLH1HTTITGB3ITGA2B
SCHEMBL30915257 0.89 MAPT (0.67) MAPTFOLH1HTTITGB3ITGA2B
SCHEMBL8838459 0.89 MAPT (0.67) MAPTFOLH1HTTITGB3ITGA2B
SCHEMBL29401232 0.89 MAPT (0.67) MAPTFOLH1HTTITGB3ITGA2B
SCHEMBL31429918 0.88 MAPT (0.66) MAPTFOLH1HTTITGB3ITGA2B
Bicarbonate SCHEMBL5175781 0.88 MAPT (0.66) MAPTFOLH1HTTITGB3ITGA2B
SCHEMBL1134604 0.88 MAPT (0.66) MAPTFOLH1HTTITGB3ITGA2B
SCHEMBL19057198 0.88 MAPT (0.54) MAPTFOLH1HTTITGB3ITGA2B
SCHEMBL16279057 0.87 MAPT (0.62) MAPTFOLH1HTTITGB3ITGA2B

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
EP-1869068-A1 ANTIBACTERIAL AMIDE-MACROCYCLES V AiCuris GmbH & Co. KG (DE) 2007-12-26 EP disclosed
WO-2006103015-A1 ANTIBACTERIAL AMIDE-MACROCYCLES V AICURIS GMBH & CO. KG (DE) 2006-10-05 WO 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 MAPT 4840/4885FOLH1 3653/4885HTT 1449/4885

“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.