SCHEMBL4682248

SCHEMBL4682248

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

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 3/20 0.36
ITGAV P06756 3/20 0.36
HSD17B10 Q99714 4/20 0.34
TSHR P16473 2/20 0.34
THRB P10828 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
USP2 O75604 1/20 0.33
GAA P10253 1/20 0.33
TP53 P04637 2/20 0.33
MAPT P10636 1/20 0.33
POLB P06746 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ALOX15 P16050 1/20 0.32

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
SCHEMBL4681624 1.00 ITGB3 (0.36) ITGB3ITGAVHSD17B10TSHRTHRB
SCHEMBL14143519 1.00 ITGB3 (0.36) ITGB3ITGAVHSD17B10TSHRTHRB
SCHEMBL3046224 0.93 ITGB3 (0.39) ITGB3ITGAVHSD17B10TSHRMEN1
SCHEMBL4687097 0.93 ITGB3 (0.39) ITGB3ITGAVHSD17B10TSHRMEN1
SCHEMBL8327726 0.93 ITGB3 (0.39) ITGB3ITGAVHSD17B10TSHRMEN1
SCHEMBL1378559 0.93 ITGB3 (0.39) ITGB3ITGAVHSD17B10TSHRMEN1
SCHEMBL4850590 0.92 CCKAR (0.35) ITGB3ITGAVHSD17B10TSHRTHRB
SCHEMBL4684103 0.91 ITGB3 (0.36) ITGB3ITGAVHSD17B10TSHRTHRB
SCHEMBL4683468 0.90 ITGB3 (0.46) ITGB3ITGAVHSD17B10TSHRTHRB
SCHEMBL14181804 0.89 TSHR (0.37) HSD17B10TSHRTHRBMEN1KMT2A

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 12 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 claimed
US-7371854-B2 Method for the production of bicyclic aromatic amino acids and intermediate products thereof MERCK PATENT GMBH (DE) 2008-05-13 US claimed
US-20060142568-A1 Method for the production of bicyclic aromatic amino acids and intermediate products thereof MEREK PATENT GMBH (DE) 2006-06-29 US claimed
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
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-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-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
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 ITGB3 8/4885ITGAV 16/4885HSD17B10 4570/4885

“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.