SCHEMBL4685497

SCHEMBL4685497

CC(C)(C)COC(=O)N[C@@H](Cc1ccc2c(c1)NC(=O)C(CCC(=O)O)O2)C(=O)OC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.37
GAA P10253 1/20 0.37
ITGB3 P05106 1/20 0.36
ITGAV P06756 1/20 0.36
CCKAR P32238 1/20 0.36
CCKBR P32239 1/20 0.36
IDO1 P14902 1/20 0.36
HSD17B10 Q99714 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
POLB P06746 2/20 0.35
TP53 P04637 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
EPHX2 P34913 1/20 0.34
TSHR P16473 1/20 0.34
ACE P12821 1/20 0.34
KLK5 Q9Y337 1/20 0.34
MAPT P10636 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
ABCB1 P08183 2/20 0.34

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
SCHEMBL4853017 0.93 ITGB3 (0.43) USP2GAAITGB3ITGAVIDO1
SCHEMBL4680620 0.93 ITGB3 (0.43) USP2GAAITGB3ITGAVIDO1
SCHEMBL4852776 0.93 ITGB3 (0.43) USP2GAAITGB3ITGAVIDO1
SCHEMBL4680395 0.92 USP2 (0.39) USP2GAAITGB3ITGAVHSD17B10
SCHEMBL4679583 0.92 USP2 (0.39) USP2GAAITGB3ITGAVHSD17B10
SCHEMBL4686769 0.90 CTSL (0.40) CCKARCCKBRIDO1EPHX2KLK5
SCHEMBL8326662 0.88 USP2 (0.37) USP2GAAITGB3ITGAVHSD17B10
SCHEMBL4683912 0.88 IDO1 (0.40) USP2GAAITGB3CCKARCCKBR
SCHEMBL8330384 0.88 IDO1 (0.40) USP2GAAITGB3CCKARCCKBR
SCHEMBL7167872 0.87 IDO1 (0.46) USP2GAAITGB3ITGAVCCKAR

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 5 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

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 USP2 4839/4885GAA 2864/4885ITGB3 8/4885

“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.