SCHEMBL5178244

SCHEMBL5178244

COc1ccccc1S(=O)(=O)[As](Cc1ccc(-c2ccc(O)c(C(=O)O)c2)cc1)Cc1ccc(C(F)(F)P(=O)(O)O)cc1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 7/20 0.51
PTPN5 P54829 8/20 0.40
MCL1 Q07820 4/20 0.39
PTPRC P08575 1/20 0.39
PTPN2 P17706 1/20 0.39
PTPRB P23467 1/20 0.39
PTPN6 P29350 1/20 0.39
PTPN11 Q06124 1/20 0.39
ACMSD Q8TDX5 2/20 0.38
DHFR P00374 1/20 0.38
HNF4A P41235 1/20 0.38
ACLY P53396 1/20 0.38

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
SCHEMBL5163343 0.85 PTPN1 (0.67) PTPN1
SCHEMBL5164813 0.74 PTPN1 (0.53) PTPN1PTPN2ACLY
SCHEMBL5163348 0.72 PTPN1 (0.47) PTPN1MCL1ACMSDDHFRHNF4A
SCHEMBL5164817 0.67 PTPN1 (0.42) PTPN1MCL1ACLY
SCHEMBL5166571 0.67 PTPN1 (0.47) PTPN1PTPN2
SCHEMBL5164528 0.65 PTPN1 (0.45) PTPN1PTPN2
SCHEMBL21872020 0.63 PTPN1 (0.53) PTPN1ACLY
SCHEMBL330660 0.63 ACMSD (0.66) MCL1ACMSDDHFRHNF4AACLY
SCHEMBL9678205 0.62 KDM4E (0.43) PTPN1MCL1ACMSDDHFRHNF4A
SCHEMBL11696480 0.61 MCL1 (0.55) MCL1ACMSDDHFRHNF4A

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-1765332-A2 TRISUBSTITUTED NITROGEN MODULATORS OF TYROSINE PHOSPHATASES Cengent Therapeutics, Inc. (US) 2007-03-28 EP disclosed
WO-2006009876-A2 TRISUBSTITUTED NITROGEN MODULATORS OF TYROSINE PHOSPHATASES CENGENT THERAPEUTICS, INC. (US) 2006-01-26 WO disclosed