SCHEMBL4414756

SCHEMBL4414756

CC(O)c1ccc2cc(Br)c(C(F)(F)P(=O)(O)O)cc2c1

nearest known ligand 0.67

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 11/20 0.67
PTPN2 P17706 7/20 0.60
PTPRC P08575 1/20 0.56
PTPN5 P54829 2/20 0.48
UGT2B7 P16662 1/20 0.46

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
SCHEMBL2693268 0.83 PTPN1 (0.47) PTPN1PTPN2PTPRCPTPN5UGT2B7
SCHEMBL2691376 0.81 PTPN1 (1.00) PTPN1PTPN2PTPRC
SCHEMBL3746043 0.80 PTPN1 (0.72) PTPN1PTPN2PTPRC
SCHEMBL4566574 0.79 UGT2B7 (0.43) PTPN1PTPN2PTPRCPTPN5UGT2B7
SCHEMBL5021024 0.78 PTPN1 (0.71) PTPN1PTPN2PTPRC
SCHEMBL2691065 0.77 PTPN1 (0.69) PTPN1PTPN2PTPRC
SCHEMBL4410745 0.77 PTPN1 (0.69) PTPN1PTPN2PTPRC
SCHEMBL2690547 0.76 PTPN1 (0.67) PTPN1PTPN2PTPRC
SCHEMBL3177750 0.76 PTPN1 (0.73) PTPN1PTPN2PTPRC
SCHEMBL15095636 0.76 PTPN1 (0.73) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2114971-B1 FUSED AROMATIC PTP-1B INHIBITORS KANEQ PHARMA INC (CA) 2015-06-17 EP disclosed
US-8481742-B2 Fused aromatic PTP-1B inhibitors KANEQ PHARMA INC. (CA) 2013-07-09 US disclosed
EP-2114971-A1 FUSED AROMATIC PTP-1B INHIBITORS Merck Frosst Canada Ltd. (CA) 2009-11-11 EP disclosed
WO-2008089581-A1 FUSED AROMATIC PTP-1B INHIBITORS MERCK FROSST CANADA LTD. (CA) 2008-07-31 WO disclosed