SCHEMBL2991862

SCHEMBL2991862

O=C(O)[C@H](Cc1ccccc1)N(CP(=O)(O)O)CP(=O)(O)O

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LAP3 P28838 3/20 0.50
ANPEP P15144 2/20 0.50
ACP3 P15309 1/20 0.49
CYP1A2 P05177 1/20 0.47
ALPI P09923 1/20 0.44
PKM P14618 1/20 0.44
PTGS1 P23219 1/20 0.44
XIAP P98170 1/20 0.44
SLC7A5 Q01650 1/20 0.44
ERAP2 Q6P179 1/20 0.42
CPA1 P15085 2/20 0.42
CPA3 P15088 2/20 0.42
FOLH1 Q04609 1/20 0.42
CPB1 P15086 1/20 0.42
CPB2 Q96IY4 1/20 0.42
PTPN1 P18031 1/20 0.41
SRR Q9GZT4 1/20 0.41

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
SCHEMBL2991859 1.00 LAP3 (0.50) LAP3ANPEPACP3CYP1A2ALPI
SCHEMBL3091871 0.87 LAP3 (0.51) LAP3ANPEPACP3CYP1A2ALPI
SCHEMBL2992448 0.87 SLC7A5 (0.47) LAP3ANPEPSLC7A5ERAP2FOLH1
SCHEMBL3091879 0.87 LAP3 (0.51) LAP3ANPEPACP3CYP1A2ALPI
SCHEMBL2992444 0.87 SLC7A5 (0.47) LAP3ANPEPSLC7A5ERAP2FOLH1
Ammonia Solution, Strong SCHEMBL2415756 0.86 LAP3 (0.46) LAP3ANPEPACP3CYP1A2ALPI
SCHEMBL9137977 0.85 LAP3 (0.49) LAP3ANPEPACP3CYP1A2ALPI
SCHEMBL9137969 0.85 LAP3 (0.49) LAP3ANPEPACP3CYP1A2ALPI
SCHEMBL8697154 0.84 LAP3 (0.47) LAP3ANPEPACP3CYP1A2ALPI
SCHEMBL2987292 0.84 ERAP1 (0.53) LAP3ANPEPACP3ERAP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2054423-B1 ALPHA-AMINO ACID PHOSPHONIC ACID COMPOUNDS, METHOD OF PREPARATION AND USE THEREOF DEQUEST AG (CH) 2012-07-18 EP claimed
US-7776844-B2 N-(phosphonoalkyl)-amino acids, derivatives thereof and compositions and methods of use YU RUEY J 2010-08-17 US claimed
US-20090208499-A1 N-(Phosphonoalkyl)-Amino Acids, Derivatives Thereof and Compositions and Methods of Use YU RUEY J 2009-08-20 US claimed
JP-2009526755-A 2009-07-23 JP claimed
US-20080306025-A1 N-(PHOSPHONOALKYL)-AMINO ACIDS, DERIVATIVES THEREOF AND COMPOSITIONS AND METHODS OF USE YU RUEY J 2008-12-11 US claimed
EP-1979366-A2 N-(PHOSPHONOALKYL)-AMINO ACIDS, DERIVATIVES THEREOF AND COMPOSITIONS AND METHODS OF USE Yu, Ruey J. (US) 2008-10-15 EP claimed
WO-2007082206-A2 N-(PHOSPHONOALKYL)-AMINO ACIDS, DERIVATIVES THEREOF AND COMPOSITIONS AND METHODS OF USE YU RUEY J (US) 2007-07-19 WO claimed
US-20070161543-A1 N-(PHOSPHONOALKYL)-AMINO ACIDS, DERIVATIVES THEREOF AND COMPOSITIONS AND METHODS OF USE YU RUEY J 2007-07-12 US claimed
EP-2054423-B1 ALPHA-AMINO ACID PHOSPHONIC ACID COMPOUNDS, METHOD OF PREPARATION AND USE THEREOF DEQUEST AG (CH) 2012-07-18 EP disclosed
US-20100247463-A1 N-(PHOSPHONOALKYL)-AMINO ACIDS, DERIVATIVES THEREOF AND COMPOSITIONS AND METHODS OF USE YU RUEY J 2010-09-30 US disclosed
US-7776844-B2 N-(phosphonoalkyl)-amino acids, derivatives thereof and compositions and methods of use YU RUEY J 2010-08-17 US disclosed
US-20090208499-A1 N-(Phosphonoalkyl)-Amino Acids, Derivatives Thereof and Compositions and Methods of Use YU RUEY J 2009-08-20 US disclosed
US-7572776-B2 N-(phosphonoalkyl)-amino acids, derivatives thereof and compositions and methods of use YU RUEY J 2009-08-11 US disclosed
US-20080306025-A1 N-(PHOSPHONOALKYL)-AMINO ACIDS, DERIVATIVES THEREOF AND COMPOSITIONS AND METHODS OF USE YU RUEY J 2008-12-11 US disclosed
EP-1979366-A2 N-(PHOSPHONOALKYL)-AMINO ACIDS, DERIVATIVES THEREOF AND COMPOSITIONS AND METHODS OF USE Yu, Ruey J. (US) 2008-10-15 EP disclosed
US-7429575-B2 N-(phosphonoalkyl)-amino acids, derivatives thereof and compositions and methods of use YU RUEY J 2008-09-30 US disclosed
WO-2007082206-A2 N-(PHOSPHONOALKYL)-AMINO ACIDS, DERIVATIVES THEREOF AND COMPOSITIONS AND METHODS OF USE YU RUEY J (US) 2007-07-19 WO disclosed
US-20070161543-A1 N-(PHOSPHONOALKYL)-AMINO ACIDS, DERIVATIVES THEREOF AND COMPOSITIONS AND METHODS OF USE YU RUEY J 2007-07-12 US disclosed