SCHEMBL282664

SCHEMBL282664

CCCCCCCCCCCCc1ccc(S(=O)(=O)Nc2nnc(CC(=O)OCC)s2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 15/20 1.00
GAB1 Q13480 5/20 1.00
IRS1 P35568 3/20 1.00
PDPK1 O15530 1/20 0.55
ABCB11 O95342 1/20 0.55
AKT2 P31751 1/20 0.55
AKT3 Q9Y243 1/20 0.55

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
SCHEMBL283045 0.88 AKT1 (1.00) AKT1GAB1IRS1PDPK1ABCB11
SCHEMBL1413821 0.86 AKT1 (0.76) AKT1GAB1IRS1
SCHEMBL12829989 0.85 AKT1 (0.88) AKT1GAB1IRS1PDPK1ABCB11
SCHEMBL283324 0.85 AKT1 (0.77) AKT1GAB1IRS1
SCHEMBL287001 0.84 AKT1 (0.83) AKT1GAB1IRS1PDPK1ABCB11
SCHEMBL288913 0.84 AKT1 (1.00) AKT1GAB1IRS1PDPK1ABCB11
SCHEMBL19532783 0.84 AKT1 (0.86) AKT1GAB1IRS1PDPK1ABCB11
SCHEMBL282905 0.84 AKT1 (1.00) AKT1GAB1IRS1PDPK1ABCB11
SCHEMBL14864432 0.83 AKT1 (0.71) AKT1GAB1IRS1
SCHEMBL14864421 0.83 AKT1 (0.70) AKT1GAB1IRS1

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2428504-B1 Small molecule inhibitors of the pleckstrin homology domain and method for using same UNIV TEXAS (US) 2017-05-17 EP disclosed
US-9320734-B2 Small molecule inhibitors of the pleckstrin homology domain and methods for using same BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2016-04-26 US disclosed
US-20150126563-A1 SMALL MOLECULE INHIBITORS OF THE PLECKSTRIN HOMOLOGY DOMAIN AND METHODS FOR USING SAME BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2015-05-07 US disclosed
US-8962663-B2 Small molecule inhibitors of the pleckstrin homology domain and methods for using same BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2015-02-24 US disclosed
US-20130184317-A1 SMALL MOLECULE INHIBITORS OF THE PLECKSTRIN HOMOLOGY DOMAIN AND METHODS FOR USING SAME ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) 2013-07-18 US disclosed
US-8420678-B2 Small molecule inhibitors of the pleckstrin homology domain and methods for using same BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2013-04-16 US disclosed
US-20120189670-A1 PHARMACEUTICAL COMPOSITIONS AND FORMULATIONS INCLUDING INHIBITORS OF THE PLECKSTRIN HOMOLOGY DOMAIN AND METHODS FOR USING SAME PHUSIS THERAPEUTICS INC. 2012-07-26 US disclosed
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
US-20110144066-A1 SMALL MOLECULE INHIBITORS OF THE PLECKSTRIN HOMOLOGY DOMAIN AND METHODS FOR USING SAME THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2011-06-16 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110144066-A1 SMALL MOLECULE INHIBITORS OF THE PLECKSTRIN HOMOLOGY DOMAIN AND METHODS FOR USING SAME PLEKHG3, PLEKHA1, PLEC AKT1 92/4885GAB1 107/4885IRS1 1903/4885
US-20150126563-A1 SMALL MOLECULE INHIBITORS OF THE PLECKSTRIN HOMOLOGY DOMAIN AND METHODS FOR USING SAME PLEKHG3, PLEKHA1, PLEC AKT1 92/4885GAB1 107/4885IRS1 1903/4885
US-20130184317-A1 SMALL MOLECULE INHIBITORS OF THE PLECKSTRIN HOMOLOGY DOMAIN AND METHODS FOR USING SAME PLEKHG3, PLEKHA1, PLEC AKT1 92/4885GAB1 107/4885IRS1 1903/4885
US-20120189670-A1 PHARMACEUTICAL COMPOSITIONS AND FORMULATIONS INCLUDING INHIBITORS OF THE PLECKSTRIN HOMOLOGY DOMAIN AND METHODS FOR USING SAME PLEKHG3, PLEC, PLEKHA1 AKT1 80/4885GAB1 188/4885IRS1 1342/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.