SCHEMBL328334

SCHEMBL328334

COc1cc(NS(=O)(=O)c2ccc(NC(=O)C(C)(C)C)cc2)nc(OC)n1

nearest known ligand 0.81

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALOX12 P18054 2/20 0.81
KMT2A Q03164 7/20 0.78
ALDH1A1 P00352 3/20 0.78
AKT1 P31749 2/20 0.78
HTT P42858 1/20 0.78
SMN1; SMN2 Q16637 1/20 0.78
POLB P06746 3/20 0.69
LMNA P02545 2/20 0.66
NPSR1 Q6W5P4 1/20 0.66
P2RY1 P47900 1/20 0.66
GFER P55789 1/20 0.64
CYP3A4 P08684 1/20 0.64
HTR6 P50406 1/20 0.64
MEN1 O00255 3/20 0.63
CHIA Q9BZP6 1/20 0.63
TP53 P04637 1/20 0.63

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
SCHEMBL10031613 0.83 ALDH1A1 (0.80) ALOX12KMT2AALDH1A1AKT1HTT
SCHEMBL4556022 0.83 P2RY1 (0.83) ALOX12KMT2AALDH1A1AKT1HTT
SCHEMBL24274737 0.82 KMT2A (1.00) ALOX12KMT2AALDH1A1AKT1HTT
SCHEMBL328330 0.80 ALDH1A1 (0.74) ALOX12KMT2AALDH1A1AKT1HTT
SCHEMBL13453530 0.80 KMT2A (0.83) ALOX12KMT2AALDH1A1AKT1HTT
SCHEMBL7824834 0.80 ALDH1A1 (0.78) ALOX12KMT2AALDH1A1AKT1HTT
SCHEMBL328331 0.79 AKT1 (1.00) ALOX12KMT2AALDH1A1AKT1HTT
SCHEMBL5449670 0.79 ALDH1A1 (0.73) ALOX12KMT2AALDH1A1AKT1HTT
SCHEMBL3000970 0.79 KMT2A (0.75) ALOX12KMT2AALDH1A1AKT1HTT
Sulfadimethoxine SCHEMBL93845 0.78 LMNA (1.00) ALOX12KMT2AALDH1A1AKT1HTT

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 ALOX12 4414/4885KMT2A 3162/4885ALDH1A1 4424/4885
US-20150126563-A1 SMALL MOLECULE INHIBITORS OF THE PLECKSTRIN HOMOLOGY DOMAIN AND METHODS FOR USING SAME PLEKHG3, PLEKHA1, PLEC ALOX12 4414/4885KMT2A 3162/4885ALDH1A1 4424/4885
US-20130184317-A1 SMALL MOLECULE INHIBITORS OF THE PLECKSTRIN HOMOLOGY DOMAIN AND METHODS FOR USING SAME PLEKHG3, PLEKHA1, PLEC ALOX12 4414/4885KMT2A 3162/4885ALDH1A1 4424/4885
US-20120189670-A1 PHARMACEUTICAL COMPOSITIONS AND FORMULATIONS INCLUDING INHIBITORS OF THE PLECKSTRIN HOMOLOGY DOMAIN AND METHODS FOR USING SAME PLEKHG3, PLEC, PLEKHA1 ALOX12 3757/4885KMT2A 4375/4885ALDH1A1 4500/4885

“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.