SCHEMBL14864429

SCHEMBL14864429

CCOC(=O)c1nnc(NS(=O)(=O)c2ccc(NC=O)cc2)s1

nearest known ligand 0.66

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 4/20 0.65
IRS1 P35568 2/20 0.65
GAB1 Q13480 2/20 0.65
ALDH1A1 P00352 7/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
PKM P14618 1/20 0.50
HSD17B10 Q99714 1/20 0.50
MEN1 O00255 8/20 0.49
KMT2A Q03164 8/20 0.49
MAPT P10636 3/20 0.49
KDM4E B2RXH2 3/20 0.49
HPGD P15428 2/20 0.49
LMNA P02545 1/20 0.48
NHERF1 O14745 1/20 0.48
CYP2C9 P11712 1/20 0.47
POLB P06746 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46

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
SCHEMBL282840 0.86 AKT1 (0.67) AKT1IRS1GAB1ALDH1A1SMN1; SMN2
SCHEMBL14864424 0.84 AKT1 (0.69) AKT1IRS1GAB1ALDH1A1SMN1; SMN2
SCHEMBL14864423 0.83 AKT1 (0.66) AKT1IRS1GAB1ALDH1A1SMN1; SMN2
SCHEMBL14864433 0.83 CA1 (0.49) AKT1ALDH1A1SMN1; SMN2PKMHSD17B10
SCHEMBL1413996 0.81 AKT1 (0.75) AKT1IRS1GAB1ALDH1A1SMN1; SMN2
SCHEMBL282181 0.80 AKT1 (0.75) AKT1IRS1GAB1SMN1; SMN2PKM
SCHEMBL282905 0.79 AKT1 (1.00) AKT1IRS1GAB1
SCHEMBL14864420 0.79 ALDH1A1 (0.66) AKT1ALDH1A1SMN1; SMN2PKMMEN1
SCHEMBL2444829 0.78 ALDH1A1 (0.50) AKT1IRS1GAB1ALDH1A1SMN1; SMN2
SCHEMBL14864425 0.78 PKM (0.71) AKT1ALDH1A1SMN1; SMN2PKMHSD17B10

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 6 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

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

For each of this compound's patents that has machine-readable text (2 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-20150126563-A1 SMALL MOLECULE INHIBITORS OF THE PLECKSTRIN HOMOLOGY DOMAIN AND METHODS FOR USING SAME PLEKHG3, PLEKHA1, PLEC AKT1 92/4885IRS1 1903/4885GAB1 107/4885
US-20130184317-A1 SMALL MOLECULE INHIBITORS OF THE PLECKSTRIN HOMOLOGY DOMAIN AND METHODS FOR USING SAME PLEKHG3, PLEKHA1, PLEC AKT1 92/4885IRS1 1903/4885GAB1 107/4885

“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.