SCHEMBL4685325

SCHEMBL4685325

CCOC(=O)[C@H](Cc1ccc2c(c1)NC(=O)[C@@H](CCC(=O)Nc1ncc[nH]1)O2)NS(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.38
BACE1 P56817 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
TP53 P04637 1/20 0.37
POLB P06746 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ITGB3 P05106 1/20 0.36
ITGAV P06756 1/20 0.36
ITGA2B P08514 1/20 0.36
THRB P10828 1/20 0.36
USP2 O75604 1/20 0.36
GAA P10253 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
MAPK1 P28482 1/20 0.36
HSD17B10 Q99714 3/20 0.36
MAPT P10636 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
ALOX15 P16050 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
SCHEMBL7368163 0.95 BACE1 (0.39) TSHRBACE1L3MBTL1ITGB3ITGAV
SCHEMBL7479025 0.90 ITGB3 (0.39) TSHRL3MBTL1TP53POLBSMN1; SMN2
SCHEMBL14181804 0.88 TSHR (0.37) TSHRTP53POLBSMN1; SMN2THRB
SCHEMBL4685454 0.88 ITGB3 (0.36) TSHRL3MBTL1ITGB3ITGAVITGA2B
SCHEMBL4682220 0.87 THRB (0.36) TSHRL3MBTL1TP53ITGB3ITGAV
SCHEMBL7365478 0.87 ITGB3 (0.38) TSHRBACE1TP53ITGB3ITGAV
SCHEMBL7159632 0.87 ITGB3 (0.40) ITGB3ITGAVITGA2B
SCHEMBL7365336 0.86 TSHR (0.43) TSHRL3MBTL1TP53POLBSMN1; SMN2
SCHEMBL7477940 0.86 ALDH1A1 (0.41) TSHRTP53POLBSMN1; SMN2ITGB3
SCHEMBL7167733 0.86 TSHR (0.49) TSHRTP53POLBSMN1; SMN2THRB

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 TSHR 457/4885BACE1 878/4885L3MBTL1 4065/4885

“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.