SCHEMBL27696159

SCHEMBL27696159

Cc1c(C#N)ccc(C(F)(F)P(=O)(O)O)c1Br

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
AR P10275 10/20 0.47
PTPN1 P18031 5/20 0.45
PTPN2 P17706 2/20 0.45
PTPN5 P54829 2/20 0.43
PGK1 P00558 1/20 0.42
PGK2 P07205 1/20 0.42
PTPRC P08575 1/20 0.40

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
SCHEMBL3741657 0.80 PGK1 (0.53) PTPN1PTPN2PTPN5PGK1PGK2
SCHEMBL13850056 0.75 PGK1 (0.44) PTPN1PTPN2PTPN5PGK1PGK2
SCHEMBL27715848 0.71 PGK1 (0.41) PTPN1PTPN2PGK1PGK2
SCHEMBL3738148 0.70 PGK1 (0.53) PTPN1PTPN5PGK1PGK2PTPRC
SCHEMBL3737925 0.67 PTPN1 (0.70) PTPN1PTPN2PTPN5PGK1PGK2
SCHEMBL31156144 0.67 AR (0.40) AR
SCHEMBL25239302 0.66 PTPN1 (0.43) PTPN1PTPN2PTPN5PTPRC
SCHEMBL3872784 0.66 TSHR (0.38) AR
SCHEMBL3745971 0.66 PTPRC (0.54) PTPN1PTPN2PGK1PGK2PTPRC
SCHEMBL3732105 0.64 PTPN1 (0.74) PTPN1PTPN2PTPRC

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
CN-101094677-A Protein tyrosine phosphatase inhibitors and methods of use thereof CEPTYR INC (US) 2007-12-26 CN claimed
CN-101094677-A Protein tyrosine phosphatase inhibitors and methods of use thereof CEPTYR INC (US) 2007-12-26 CN disclosed