SCHEMBL10108708

SCHEMBL10108708

CCC(C)c1ccc(S(=O)(=O)Nc2nncs2)cc1

nearest known ligand 0.66

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 11/20 0.63
MEN1 O00255 1/20 0.61
TSHR P16473 1/20 0.61
KMT2A Q03164 1/20 0.61
PDPK1 O15530 1/20 0.60
ABCB11 O95342 1/20 0.60
AKT2 P31751 1/20 0.60
GAB1 Q13480 1/20 0.60
AKT3 Q9Y243 1/20 0.60
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA4 P22748 1/20 0.45
CA5A P35218 1/20 0.45
CA5B Q9Y2D0 1/20 0.45

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
SCHEMBL328445 0.87 AKT1 (0.68) AKT1MEN1TSHRKMT2APDPK1
SCHEMBL10108715 0.85 AKT1 (0.69) AKT1MEN1TSHRKMT2APDPK1
SCHEMBL10108268 0.85 AKT1 (0.69) AKT1MEN1TSHRKMT2APDPK1
SCHEMBL11893079 0.85 AKT1 (0.69) AKT1MEN1TSHRKMT2APDPK1
SCHEMBL10108716 0.85 AKT1 (0.69) AKT1MEN1TSHRKMT2APDPK1
SCHEMBL10108706 0.85 AKT1 (0.69) AKT1MEN1TSHRKMT2APDPK1
SCHEMBL328550 0.80 AKT1 (0.72) AKT1MEN1TSHRKMT2APDPK1
SCHEMBL10108714 0.78 AKT1 (0.67) AKT1MEN1TSHRKMT2APDPK1
SCHEMBL10108720 0.78 AKT1 (0.65) AKT1MEN1TSHRKMT2APDPK1
SCHEMBL282536 0.77 AKT1 (1.00) AKT1MEN1TSHRKMT2APDPK1

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-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 (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-20110144066-A1 SMALL MOLECULE INHIBITORS OF THE PLECKSTRIN HOMOLOGY DOMAIN AND METHODS FOR USING SAME PLEKHG3, PLEKHA1, PLEC AKT1 92/4885MEN1 1607/4885TSHR 4193/4885
US-20120189670-A1 PHARMACEUTICAL COMPOSITIONS AND FORMULATIONS INCLUDING INHIBITORS OF THE PLECKSTRIN HOMOLOGY DOMAIN AND METHODS FOR USING SAME PLEKHG3, PLEC, PLEKHA1 AKT1 80/4885MEN1 955/4885TSHR 3939/4885

“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.