SCHEMBL11893045

SCHEMBL11893045

O=C(Nc1ccccc1SCCS(=O)(=O)c1ccc(Cl)cc1)c1ccccc1S(=O)(=O)O

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 1/20 0.77
KMT2A Q03164 5/20 0.53
MEN1 O00255 4/20 0.53
IRS1 P35568 1/20 0.48
GAB1 Q13480 1/20 0.48
ALDH1A1 P00352 5/20 0.43
LMNA P02545 3/20 0.43
HPGD P15428 2/20 0.43
MAPT P10636 3/20 0.41
KDM4E B2RXH2 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
POLB P06746 2/20 0.38
PKM P14618 1/20 0.38
HSD17B10 Q99714 1/20 0.38
NPSR1 Q6W5P4 2/20 0.38
CTDSP1 Q9GZU7 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38

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
SCHEMBL328426 0.88 AKT1 (0.82) AKT1KMT2AMEN1IRS1GAB1
SCHEMBL11893046 0.88 AKT1 (0.71) AKT1KMT2AMEN1IRS1GAB1
SCHEMBL328458 0.87 AKT1 (1.00) AKT1KMT2AMEN1IRS1GAB1
SCHEMBL11891838 0.86 AKT1 (0.79) AKT1KMT2AMEN1IRS1GAB1
SCHEMBL11893049 0.85 AKT1 (0.61) AKT1KMT2AMEN1IRS1GAB1
SCHEMBL11891825 0.84 AKT1 (0.85) AKT1KMT2AMEN1IRS1GAB1
SCHEMBL11891819 0.84 AKT1 (0.78) AKT1KMT2AMEN1IRS1GAB1
SCHEMBL11893057 0.83 AKT1 (0.73) AKT1KMT2AMEN1IRS1GAB1
SCHEMBL11891815 0.82 AKT1 (0.72) AKT1KMT2AMEN1IRS1GAB1
SCHEMBL11891821 0.82 AKT1 (0.78) AKT1KMT2AMEN1IRS1GAB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 92/4885KMT2A 3162/4885MEN1 1607/4885
US-20150126563-A1 SMALL MOLECULE INHIBITORS OF THE PLECKSTRIN HOMOLOGY DOMAIN AND METHODS FOR USING SAME PLEKHG3, PLEKHA1, PLEC AKT1 92/4885KMT2A 3162/4885MEN1 1607/4885
US-20130184317-A1 SMALL MOLECULE INHIBITORS OF THE PLECKSTRIN HOMOLOGY DOMAIN AND METHODS FOR USING SAME PLEKHG3, PLEKHA1, PLEC AKT1 92/4885KMT2A 3162/4885MEN1 1607/4885
US-20120189670-A1 PHARMACEUTICAL COMPOSITIONS AND FORMULATIONS INCLUDING INHIBITORS OF THE PLECKSTRIN HOMOLOGY DOMAIN AND METHODS FOR USING SAME PLEKHG3, PLEC, PLEKHA1 AKT1 80/4885KMT2A 4375/4885MEN1 955/4885

“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.