SCHEMBL328514

SCHEMBL328514

CC(=O)Nc1ccc(S(=O)(=O)Nc2nnc(C(=O)O)s2)cc1

nearest known ligand 0.68

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.68
PKM P14618 3/20 0.68
AKT1 P31749 2/20 0.68
CA1 P00915 1/20 0.68
CA2 P00918 1/20 0.68
CA9 Q16790 1/20 0.68
MEN1 O00255 5/20 0.64
KMT2A Q03164 5/20 0.64
GAA P10253 2/20 0.64
MAPT P10636 1/20 0.64
MAPK1 P28482 1/20 0.64
HSD17B10 Q99714 3/20 0.61
L3MBTL1 Q9Y468 1/20 0.53
GFER P55789 1/20 0.53
APEX1 P27695 1/20 0.53

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
SCHEMBL11893059 0.86 MEN1 (0.61) ALDH1A1PKMAKT1CA1CA2
SCHEMBL286629 0.84 ALDH1A1 (0.71) ALDH1A1PKMAKT1CA1CA2
SCHEMBL11893065 0.84 CA1 (0.60) ALDH1A1PKMAKT1CA1CA2
SCHEMBL282840 0.83 AKT1 (0.67) ALDH1A1PKMAKT1CA1CA2
SCHEMBL14864430 0.82 CA1 (0.60) ALDH1A1PKMCA1CA2CA9
SCHEMBL14864433 0.82 CA1 (0.49) ALDH1A1PKMAKT1CA1CA2
SCHEMBL282833 0.81 AKT1 (0.78) ALDH1A1PKMAKT1CA1CA2
SCHEMBL328510 0.81 LMNA (0.63) ALDH1A1AKT1CA1CA2CA9
SCHEMBL287025 0.81 AKT1 (1.00) ALDH1A1PKMAKT1MEN1KMT2A
SCHEMBL286763 0.81 ALDH1A1 (1.00) ALDH1A1PKMAKT1CA1CA2

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 11 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
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
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 (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 ALDH1A1 4424/4885PKM 2714/4885AKT1 92/4885
US-20150126563-A1 SMALL MOLECULE INHIBITORS OF THE PLECKSTRIN HOMOLOGY DOMAIN AND METHODS FOR USING SAME PLEKHG3, PLEKHA1, PLEC ALDH1A1 4424/4885PKM 2714/4885AKT1 92/4885
US-20130184317-A1 SMALL MOLECULE INHIBITORS OF THE PLECKSTRIN HOMOLOGY DOMAIN AND METHODS FOR USING SAME PLEKHG3, PLEKHA1, PLEC ALDH1A1 4424/4885PKM 2714/4885AKT1 92/4885
US-20120189670-A1 PHARMACEUTICAL COMPOSITIONS AND FORMULATIONS INCLUDING INHIBITORS OF THE PLECKSTRIN HOMOLOGY DOMAIN AND METHODS FOR USING SAME PLEKHG3, PLEC, PLEKHA1 ALDH1A1 4500/4885PKM 1927/4885AKT1 80/4885

“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.