SCHEMBL4683468

SCHEMBL4683468

CCOC(=O)[C@H](Cc1ccc2c(c1)NC(=O)[C@@H](CCC(=O)Nc1ncc[nH]1)O2)NC(=O)OCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 3/20 0.46
ITGAV P06756 2/20 0.46
IDO1 P14902 2/20 0.38
TYR P14679 1/20 0.38
CTSL P07711 4/20 0.37
TDO2 P48775 1/20 0.37
CTSS P25774 3/20 0.36
CTSK P43235 3/20 0.36
THRB P10828 1/20 0.36
HSD17B10 Q99714 3/20 0.36
ALOX15 P16050 2/20 0.36
MAPK1 P28482 1/20 0.36
HTT P42858 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
NOS1 P29475 1/20 0.36
MAPT P10636 1/20 0.35
TSHR P16473 1/20 0.35
ITGA2B P08514 1/20 0.35

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
SCHEMBL7165953 0.93 ITGB3 (0.48) ITGB3ITGAVIDO1CTSLTDO2
SCHEMBL4684103 0.90 ITGB3 (0.36) ITGB3ITGAVTHRBHSD17B10ALOX15
SCHEMBL14143519 0.90 ITGB3 (0.36) ITGB3ITGAVTHRBHSD17B10ALOX15
SCHEMBL4681624 0.90 ITGB3 (0.36) ITGB3ITGAVTHRBHSD17B10ALOX15
SCHEMBL4682248 0.90 ITGB3 (0.36) ITGB3ITGAVTHRBHSD17B10ALOX15
SCHEMBL4850590 0.89 CCKAR (0.35) ITGB3ITGAVTHRBHSD17B10MAPT
SCHEMBL14181804 0.88 TSHR (0.37) THRBHSD17B10ALOX15MAPTTSHR
SCHEMBL4682220 0.87 THRB (0.36) ITGB3ITGAVTHRBHSD17B10ALOX15
SCHEMBL7368163 0.86 BACE1 (0.39) ITGB3ITGAVTHRBHSD17B10ALOX15
SCHEMBL7165621 0.85 ITGB3 (0.39) ITGB3ITGAVTHRBHSD17B10MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1594853-B1 METHOD FOR THE PRODUCTION OF BICYCLIC AROMATIC AMINO ACIDS AND INTERMEDIATE PRODUCTS THEREOF MERCK PATENT GMBH (DE) 2008-07-09 EP disclosed
US-7371854-B2 Method for the production of bicyclic aromatic amino acids and intermediate products thereof MERCK PATENT GMBH (DE) 2008-05-13 US disclosed
US-20060142568-A1 Method for the production of bicyclic aromatic amino acids and intermediate products thereof MEREK PATENT GMBH (DE) 2006-06-29 US disclosed
EP-1594853-A1 METHOD FOR THE PRODUCTION OF BICYCLIC AROMATIC AMINO ACIDS AND INTERMEDIATE PRODUCTS THEREOF MERCK PATENT GmbH (DE) 2005-11-16 EP disclosed
WO-2004072054-A1 METHOD FOR THE PRODUCTION OF BICYCLIC AROMATIC AMINO ACIDS AND INTERMEDIATE PRODUCTS THEREOF MERCK PATENT GMBH (DE) 2004-08-26 WO disclosed
EP-0964856-B1 BICYCLIC AMINO ACIDS MERCK PATENT GMBH (DE) 2002-10-09 EP disclosed
EP-0964856-A1 BICYCLIC AMINO ACIDS MERCK PATENT GmbH (DE) 1999-12-22 EP disclosed
WO-1998035949-A1 BICYCLIC AMINO ACIDS MERCK PATENT GMBH (DE) 1998-08-20 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-20060142568-A1 Method for the production of bicyclic aromatic amino acids and intermediate products thereof ITGA1, ITGB1, ITGA2 ITGB3 8/4885ITGAV 16/4885IDO1 487/4885

“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.