SCHEMBL11891734

SCHEMBL11891734

CN(CCCCCCCCCCc1ccc(S(=O)(=O)Nc2nncs2)cc1)c1ccc([N+](=O)[O-])c2nonc12

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 12/20 0.55
PDPK1 O15530 1/20 0.55
ABCB11 O95342 1/20 0.55
AKT2 P31751 1/20 0.55
GAB1 Q13480 1/20 0.55
AKT3 Q9Y243 1/20 0.55
KCNH2 Q12809 1/20 0.44
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
MAPT P10636 1/20 0.43
MAPK1 P28482 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
TSHR P16473 1/20 0.39

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
SCHEMBL11891714 1.00 AKT1 (0.55) AKT1PDPK1ABCB11AKT2GAB1
SCHEMBL15114878 0.85 AKT1 (0.55) AKT1PDPK1ABCB11AKT2GAB1
SCHEMBL282765 0.84 AKT1 (0.55) AKT1PDPK1ABCB11AKT2GAB1
SCHEMBL11893067 0.81 MEN1 (0.55) AKT1GAB1KCNH2MEN1KMT2A
SCHEMBL14864411 0.81 MEN1 (0.55) AKT1GAB1KCNH2MEN1KMT2A
SCHEMBL283080 0.72 AKT1 (1.00) AKT1PDPK1ABCB11AKT2GAB1
SCHEMBL283219 0.72 AKT1 (1.00) AKT1PDPK1ABCB11AKT2GAB1
SCHEMBL283155 0.72 AKT1 (1.00) AKT1PDPK1ABCB11AKT2GAB1
SCHEMBL283200 0.72 AKT1 (1.00) AKT1PDPK1ABCB11AKT2GAB1
SCHEMBL283518 0.72 AKT1 (1.00) AKT1PDPK1ABCB11AKT2GAB1

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 5 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-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 (3 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 92/4885PDPK1 53/4885ABCB11 4812/4885
US-20150126563-A1 SMALL MOLECULE INHIBITORS OF THE PLECKSTRIN HOMOLOGY DOMAIN AND METHODS FOR USING SAME PLEKHG3, PLEKHA1, PLEC AKT1 92/4885PDPK1 53/4885ABCB11 4812/4885
US-20120189670-A1 PHARMACEUTICAL COMPOSITIONS AND FORMULATIONS INCLUDING INHIBITORS OF THE PLECKSTRIN HOMOLOGY DOMAIN AND METHODS FOR USING SAME PLEKHG3, PLEC, PLEKHA1 AKT1 80/4885PDPK1 57/4885ABCB11 3410/4885

“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.