SCHEMBL1413821

SCHEMBL1413821

CCCCCCCCCCNc1ccc(S(=O)(=O)Nc2nnc(CC(=O)OCC)s2)cc1

nearest known ligand 0.77

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 9/20 0.76
IRS1 P35568 3/20 0.76
GAB1 Q13480 3/20 0.76
PKM P14618 1/20 0.53
HSD17B10 Q99714 1/20 0.53
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
ALDH1A1 P00352 1/20 0.48
P2RY1 P47900 1/20 0.48
KLKB1 P03952 1/20 0.48
CTSB P07858 1/20 0.48
ELANE P08246 1/20 0.48

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
SCHEMBL1413850 0.88 AKT1 (0.74) AKT1IRS1GAB1PKMHSD17B10
SCHEMBL283324 0.87 AKT1 (0.77) AKT1IRS1GAB1PKMHSD17B10
SCHEMBL282664 0.86 AKT1 (1.00) AKT1IRS1GAB1
SCHEMBL1413996 0.84 AKT1 (0.75) AKT1IRS1GAB1PKMHSD17B10
SCHEMBL282264 0.83 AKT1 (0.74) AKT1IRS1GAB1PKMHSD17B10
SCHEMBL14864423 0.82 AKT1 (0.66) AKT1IRS1GAB1PKMHSD17B10
SCHEMBL14864432 0.81 AKT1 (0.71) AKT1IRS1GAB1PKMHSD17B10
SCHEMBL14864421 0.81 AKT1 (0.70) AKT1IRS1GAB1PKMHSD17B10
SCHEMBL283620 0.74 AKT1 (0.83) AKT1IRS1GAB1PKMHSD17B10
SCHEMBL283045 0.74 AKT1 (1.00) AKT1IRS1GAB1

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-2477625-A2 PHARMACEUTICAL COMPOSITIONS AND FORMULATIONS INCLUDING INHIBITORS OF THE PLECKSTRIN HOMOLOGY DOMAIN AND METHODS FOR USING SAME Phusis Therapeutics Inc. (US) 2012-07-25 EP disclosed
WO-2011032169-A2 PHARMACEUTICAL COMPOSITIONS AND FORMULATIONS INCLUDING INHIBITORS OF THE PLECKSTRIN HOMOLOGY DOMAIN AND METHODS FOR USING SAME PHUSIS THERAPEUTICS INC. (US) 2011-03-17 WO disclosed
EP-2291349-A2 SMALL MOLECULE INHIBITORS OF THE PLECKSTRIN HOMOLOGY DOMAIN AND METHODS FOR USING SAME The Board of Regents of The University of Texas System (US) 2011-03-09 EP disclosed
WO-2009129267-A2 SMALL MOLECULE INHIBITORS OF THE PLECKSTRIN HOMOLOGY DOMAIN AND METHODS FOR USING SAME THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2009-10-22 WO disclosed