SCHEMBL282521

SCHEMBL282521

CCCCCCCCCCCCc1ccc(S(=O)(=O)Nc2nnc(S(N)(=O)=O)s2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 13/20 1.00
GAB1 Q13480 5/20 1.00
IRS1 P35568 3/20 0.65
CA1 P00915 5/20 0.64
CA2 P00918 5/20 0.64
PDPK1 O15530 1/20 0.63
ABCB11 O95342 1/20 0.63
AKT2 P31751 1/20 0.63
AKT3 Q9Y243 1/20 0.63
CA12 O43570 3/20 0.62
CA9 Q16790 3/20 0.62
CA3 P07451 2/20 0.62
CA6 P23280 2/20 0.62
CA5A P35218 2/20 0.62
CA14 Q9ULX7 2/20 0.62
CA5B Q9Y2D0 2/20 0.62
CA7 P43166 1/20 0.60

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
SCHEMBL283819 0.84 AKT1 (1.00) AKT1GAB1IRS1PDPK1ABCB11
SCHEMBL12829989 0.84 AKT1 (0.88) AKT1GAB1IRS1PDPK1ABCB11
SCHEMBL288913 0.83 AKT1 (1.00) AKT1GAB1IRS1PDPK1ABCB11
SCHEMBL19532783 0.83 AKT1 (0.86) AKT1GAB1IRS1PDPK1ABCB11
SCHEMBL284048 0.81 AKT1 (1.00) AKT1GAB1IRS1PDPK1ABCB11
SCHEMBL287001 0.81 AKT1 (0.83) AKT1GAB1IRS1PDPK1ABCB11
SCHEMBL328581 0.81 AKT1 (0.76) AKT1GAB1CA1CA2CA12
SCHEMBL283044 0.81 AKT1 (0.76) AKT1GAB1CA1CA2CA12
SCHEMBL10108711 0.81 AKT1 (0.76) AKT1GAB1CA1CA2CA12
SCHEMBL282734 0.81 AKT1 (0.81) AKT1GAB1IRS1PDPK1ABCB11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11648255-B2 Inhibitors for treatment of hematological malignancies MASARYKOVA UNIVERZITA (CZ) 2023-05-16 US disclosed
US-20170311597-A1 INHIBITORS OF GRB2-ASSOCIATED BINDING PROTEIN 1 (GAB1) AND METHODS OF TREATING CANCER USING THE SAME ARIZONA BOARD OF REGENTS ON BEHALF OF UNIVERSITY OF ARIZONA (US) 2017-11-02 US disclosed
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
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

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

For each of this compound's patents that has machine-readable text (6 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-20170311597-A1 INHIBITORS OF GRB2-ASSOCIATED BINDING PROTEIN 1 (GAB1) AND METHODS OF TREATING CANCER USING THE SAME GAB1, GRB2, BCR AKT1 1479/4885GAB1 1/4885IRS1 713/4885
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
US-11648255-B2 Inhibitors for treatment of hematological malignancies GAB1, BTK, MCL1 AKT1 1250/4885GAB1 1/4885IRS1 1695/4885

“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.