SCHEMBL328330

SCHEMBL328330

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

nearest known ligand 0.74

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.74
HTT P42858 2/20 0.74
AKT1 P31749 2/20 0.74
SMN1; SMN2 Q16637 1/20 0.74
LMNA P02545 2/20 0.71
CYP3A4 P08684 1/20 0.71
HTR6 P50406 1/20 0.71
KMT2A Q03164 7/20 0.71
TP53 P04637 1/20 0.63
POLB P06746 2/20 0.63
MEN1 O00255 3/20 0.62
HPGD P15428 2/20 0.62
KDM4E B2RXH2 1/20 0.62
MAPT P10636 2/20 0.61
NPSR1 Q6W5P4 1/20 0.60
ALOX12 P18054 1/20 0.60
P2RY1 P47900 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
SCHEMBL5449670 0.89 ALDH1A1 (0.73) ALDH1A1HTTAKT1SMN1; SMN2LMNA
SCHEMBL13453473 0.86 KMT2A (0.86) ALDH1A1HTTAKT1SMN1; SMN2KMT2A
SCHEMBL11891766 0.84 ALDH1A1 (0.55) ALDH1A1HTTAKT1SMN1; SMN2LMNA
SCHEMBL7824834 0.84 ALDH1A1 (0.78) ALDH1A1HTTAKT1SMN1; SMN2LMNA
Sulfadimethoxine SCHEMBL93845 0.83 LMNA (1.00) ALDH1A1HTTAKT1SMN1; SMN2LMNA
Sulfadimethoxine SCHEMBL29363944 0.83 LMNA (1.00) ALDH1A1HTTAKT1SMN1; SMN2LMNA
SCHEMBL21753106 0.83 ALDH1A1 (0.76) ALDH1A1HTTAKT1SMN1; SMN2LMNA
Sulfadimethoxine SCHEMBL2430279 0.82 LMNA (0.97) ALDH1A1HTTAKT1SMN1; SMN2LMNA
SCHEMBL10031613 0.82 ALDH1A1 (0.80) ALDH1A1HTTAKT1SMN1; SMN2LMNA
Sulfadimethoxine SCHEMBL6006340 0.82 ALDH1A1 (0.80) ALDH1A1HTTAKT1SMN1; SMN2LMNA

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 4424/4885HTT 1878/4885AKT1 92/4885
US-20150126563-A1 SMALL MOLECULE INHIBITORS OF THE PLECKSTRIN HOMOLOGY DOMAIN AND METHODS FOR USING SAME PLEKHG3, PLEKHA1, PLEC ALDH1A1 4424/4885HTT 1878/4885AKT1 92/4885
US-20130184317-A1 SMALL MOLECULE INHIBITORS OF THE PLECKSTRIN HOMOLOGY DOMAIN AND METHODS FOR USING SAME PLEKHG3, PLEKHA1, PLEC ALDH1A1 4424/4885HTT 1878/4885AKT1 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 4500/4885HTT 1140/4885AKT1 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.