SCHEMBL5532064

SCHEMBL5532064

CC(=O)NCCc1ccc(C(F)(F)P(=O)(O)O)cc1.Cc1cccc(C(F)(F)P(=O)(O)O)c1Br

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 7/20 0.45
PTPN2 P17706 2/20 0.45
PTPN6 P29350 2/20 0.45
PTPN11 Q06124 2/20 0.45
KDM4E B2RXH2 2/20 0.40
F13A1 P00488 1/20 0.40
ESRRG P62508 1/20 0.40
PTPRC P08575 1/20 0.40
PGK1 P00558 1/20 0.40
PGK2 P07205 1/20 0.40
ACP1 P24666 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
HPGD P15428 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
PTPRB P23467 1/20 0.39

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
SCHEMBL3736057 0.84 PTPN1 (0.62) PTPN1PTPN2PTPN6PTPN11KDM4E
SCHEMBL3738148 0.78 PGK1 (0.53) PTPN1PTPRCPGK1PGK2
SCHEMBL3741701 0.75 PTPN1 (0.60) PTPN1PTPN2KDM4EF13A1PTPRC
SCHEMBL1008256 0.70 KDM4E (0.64) KDM4EF13A1ESRRGALDH1A1LMNA
SCHEMBL31627779 0.67 MTNR1A (0.53) LMNA
SCHEMBL3737269 0.67 PTPN1 (0.59) PTPN1PTPN2ESRRG
SCHEMBL10592850 0.66 KDM4E (0.84) KDM4EF13A1ALDH1A1LMNAHPGD
SCHEMBL14688250 0.66 HPGD (0.63) ALDH1A1HPGD
SCHEMBL3736653 0.66 PTPN1 (0.76) PTPN1PTPN2PTPRC
SCHEMBL12184914 0.66 ESRRG (0.67) KDM4EF13A1ESRRGALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1812012-A2 PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF Ceptyr, Inc. (US) 2007-08-01 EP disclosed
WO-2006055525-A2 PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF CEPTYR, INC. (US) 2006-05-26 WO disclosed