SCHEMBL4685454

SCHEMBL4685454

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

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 7/20 0.36
ITGA2B P08514 7/20 0.36
ITGAV P06756 2/20 0.36
CHRM2 P08172 1/20 0.36
SLC6A4 P31645 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.34
TSHR P16473 2/20 0.33
THRB P10828 1/20 0.33
ALOX15 P16050 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
USP2 O75604 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL7165010 0.93 ITGB3 (0.41) ITGB3ITGA2BITGAVCHRM2SLC6A4
SCHEMBL4682220 0.90 THRB (0.36) ITGB3ITGA2BITGAVL3MBTL1TSHR
SCHEMBL14181804 0.88 TSHR (0.37) TSHRTHRBALOX15MEN1KMT2A
SCHEMBL7368163 0.88 BACE1 (0.39) ITGB3ITGA2BITGAVL3MBTL1TSHR
SCHEMBL4685325 0.88 TSHR (0.38) ITGB3ITGA2BITGAVL3MBTL1TSHR
SCHEMBL7479025 0.87 ITGB3 (0.39) ITGB3ITGA2BITGAVL3MBTL1TSHR
SCHEMBL7478535 0.86 THRB (0.40) ITGB3ITGA2BL3MBTL1TSHRTHRB
SCHEMBL7159785 0.86 ITGB3 (0.42) ITGB3ITGA2BITGAVCHRM2SLC6A4
SCHEMBL7365478 0.84 ITGB3 (0.38) ITGB3ITGA2BITGAVTSHRTHRB
SCHEMBL4681020 0.84 TSHR (0.38) TSHRTHRBALOX15MEN1KMT2A

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 6 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-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 8/4885ITGA2B 6/4885ITGAV 16/4885

“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.