SCHEMBL2994064

SCHEMBL2994064

CSCCC(C(=O)O)N(CP(=O)(O)O)CP(=O)(O)O

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RNPEP Q9H4A4 1/20 0.43
ALDH1A1 P00352 4/20 0.35
NPSR1 Q6W5P4 1/20 0.35
FOLH1 Q04609 2/20 0.34
USP2 O75604 2/20 0.34
LMNA P02545 1/20 0.34
TSHR P16473 1/20 0.34
CA2 P00918 3/20 0.33
CA1 P00915 2/20 0.33
GAA P10253 1/20 0.33
TP53 P04637 1/20 0.33
ALOX15 P16050 1/20 0.33
MAPK1 P28482 1/20 0.33
CA12 O43570 1/20 0.32
CA9 Q16790 1/20 0.32
KDM4E B2RXH2 1/20 0.32
L3MBTL1 Q9Y468 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
SCHEMBL2994065 1.00 RNPEP (0.43) RNPEPALDH1A1NPSR1FOLH1USP2
SCHEMBL3091793 0.85 RNPEP (0.34) RNPEPCA2CA1CA12CA9
SCHEMBL3091788 0.85 RNPEP (0.34) RNPEPCA2CA1CA12CA9
SCHEMBL2981334 0.83 BHMT (0.36) FOLH1TSHR
SCHEMBL2981337 0.83 BHMT (0.36) FOLH1TSHR
SCHEMBL2991630 0.80 CHRM1 (0.45) NPSR1FOLH1TSHR
SCHEMBL2991628 0.80 CHRM1 (0.45) NPSR1FOLH1TSHR
SCHEMBL12231231 0.80 RNPEP (0.38) RNPEPFOLH1
SCHEMBL2984462 0.78 FOLH1 (0.35) FOLH1LMNATSHRCA2
SCHEMBL8714482 0.78 RNPEP (0.48) RNPEPALDH1A1NPSR1FOLH1USP2

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