Sugi Predict

Sugi Predict / Compounds / SCHEMBL328515

SCHEMBL328515

SCHEMBL328515

CCCCCCCCCCC(C)c1ccc(S(=O)(=O)Nc2nnc(C(=O)O)s2)cc1

nearest known ligand 0.56

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ AKT1 P31749 12/20 0.56
▸ GAB1 Q13480 4/20 0.56
▸ IRS1 P35568 3/20 0.56
▸ ATM Q13315 1/20 0.43

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
SCHEMBL328517 0.85 AKT1 (0.56) AKT1GAB1IRS1
SCHEMBL10108490 0.84 AKT1 (0.69) AKT1GAB1IRS1
SCHEMBL10108484 0.84 AKT1 (0.70) AKT1GAB1IRS1ATM
SCHEMBL10108454 0.84 AKT1 (0.64) AKT1GAB1IRS1ATM
SCHEMBL328519 0.82 AKT1 (0.51) AKT1GAB1IRS1
SCHEMBL12829988 0.81 AKT1 (0.49) AKT1GAB1IRS1
SCHEMBL10108716 0.78 AKT1 (0.69) AKT1GAB1
SCHEMBL10108268 0.78 AKT1 (0.69) AKT1GAB1
SCHEMBL11893079 0.78 AKT1 (0.69) AKT1GAB1
SCHEMBL10108706 0.78 AKT1 (0.69) AKT1GAB1

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-2428504-A1 Small molecule inhibitors of the pleckstrin homology domain and method for using same The Board of Regents of the University of Texas System (US) 2012-03-14 — — 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