SCHEMBL6948495

SCHEMBL6948495

CC(C)(C)OP(=O)(OC(C)(C)C)C(F)(F)c1ccc(CC(Cc2ccc(C(N)=O)cc2)(C(=O)O)C(=O)O)cc1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 12/20 0.51
PTPRC P08575 2/20 0.42
EPHX2 P34913 2/20 0.41
NR1H4 Q96RI1 1/20 0.41
MAOB P27338 1/20 0.41
PLA2G10 O15496 1/20 0.38
PLA2G2A P14555 1/20 0.38
PARP10 Q53GL7 1/20 0.34
KIF11 P52732 1/20 0.34

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
SCHEMBL6941175 0.92 PTPN1 (0.59) PTPN1PTPRC
SCHEMBL7886828 0.88 PTPN1 (0.55) PTPN1PTPRC
SCHEMBL6946475 0.85 PTPN1 (0.52) PTPN1PTPRC
SCHEMBL6946462 0.83 PTPN1 (0.73) PTPN1PTPRC
SCHEMBL7886821 0.75 PTPN1 (0.70) PTPN1PTPRC
SCHEMBL6941229 0.75 PTPN1 (0.41) PTPN1PTPRC
SCHEMBL7886900 0.74 PTPN1 (0.51) PTPN1PTPRCEPHX2NR1H4
SCHEMBL7592325 0.74 PTPN1 (0.50) PTPN1PTPRCEPHX2
SCHEMBL6948682 0.73 PTPN1 (0.63) PTPN1PTPRC
SCHEMBL6946538 0.73 PTPN1 (0.55) 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-1115729-B1 PHOSPHONIC ACID DERIVATIVES AS INHIBITORS OF PTP-1B MERCK FROSST CANADA INC (CA) 2003-02-19 EP disclosed
US-6174874-B1 ANTIDIABETIC,-CARCINOGENIC AGENTS; IMPROVING GLUCOSE TOLERANCE/INSULIN-SENSITIVITY; PREVENTING/TREATING OBESITY AND NEURODEGENERATIVE DISEASES; E.G. 1,3-BIS-((PHOSPHONODI-FLUOROMETHYL)PHENYL)-2-DICARBOXYPROPANE MERCK FROSST CANADA & CO. (CA) 2001-01-16 US disclosed