SCHEMBL3085201

SCHEMBL3085201

C=CC(N[C@@H](CCSC)C(=O)O)P(=O)(O)O

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.40
CA1 P00915 2/20 0.40
ALDH1A1 P00352 3/20 0.40
USP2 O75604 2/20 0.40
MAPK1 P28482 2/20 0.40
TP53 P04637 1/20 0.40
ALOX15 P16050 1/20 0.40
NPSR1 Q6W5P4 2/20 0.39
KDM4E B2RXH2 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
LMNA P02545 2/20 0.39
GAA P10253 1/20 0.39
RNPEP Q9H4A4 1/20 0.38
PKM P14618 1/20 0.36
POLB P06746 1/20 0.36
TSHR P16473 1/20 0.36

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
SCHEMBL3085199 1.00 CA2 (0.40) CA2CA1ALDH1A1USP2MAPK1
SCHEMBL3088032 0.83 FDPS (0.37) CA2
SCHEMBL3088028 0.83 FDPS (0.37) CA2
SCHEMBL3089813 0.81 CA2 (0.33) CA2
SCHEMBL3089817 0.81 CA2 (0.33) CA2
SCHEMBL3075116 0.80 CA2 (0.33) CA2ALOX15KDM4E
SCHEMBL3075113 0.80 CA2 (0.33) CA2ALOX15KDM4E
SCHEMBL3093805 0.80 GGH (0.50) CA2CA1TSHR
SCHEMBL3093818 0.80 GGH (0.50) CA2CA1TSHR
SCHEMBL3082698 0.78 TGFBR1 (0.39) CA2CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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