SCHEMBL4563376

SCHEMBL4563376

CC(O)c1ccc2cc(Br)c(C(F)(F)[PH](=O)O)cc2n1

nearest known ligand 0.43

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 9/20 0.43
PTPRC P08575 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
SCHEMBL4410745 0.80 PTPN1 (0.69) PTPN1PTPRC
SCHEMBL4566574 0.77 UGT2B7 (0.43) PTPN1PTPRC
SCHEMBL4563377 0.75 PTPN1 (0.41) PTPN1PTPRC
SCHEMBL2693463 0.75 PTPN1 (0.49) PTPN1PTPRC
SCHEMBL5021032 0.70 PTPN1 (0.69) PTPN1PTPRC
SCHEMBL15447479 0.67 BACE1 (0.48)
SCHEMBL18563600 0.67 BACE1 (0.48)
SCHEMBL18109831 0.66 BACE1 (0.50)
SCHEMBL27824785 0.65
SCHEMBL4566575 0.64 PTPN1 (0.44) PTPN1PTPRC

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-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