SCHEMBL10108457

SCHEMBL10108457

CC(=O)Nc1ccc(S(=O)(=O)Nc2nnc(CC3OC(C)O3)s2)cc1

nearest known ligand 0.69

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 3/20 0.69
ALDH1A1 P00352 4/20 0.69
MEN1 O00255 7/20 0.66
KMT2A Q03164 7/20 0.66
GAA P10253 1/20 0.66
MAPT P10636 1/20 0.66
MAPK1 P28482 1/20 0.66
PKM P14618 3/20 0.59
HSD17B10 Q99714 2/20 0.59
CA1 P00915 1/20 0.57
CA2 P00918 1/20 0.57
CA9 Q16790 1/20 0.57
KLKB1 P03952 1/20 0.53
CTSB P07858 1/20 0.53
ELANE P08246 1/20 0.53
APEX1 P27695 1/20 0.53
POLB P06746 1/20 0.51
P2RY1 P47900 1/20 0.51

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
SCHEMBL11893030 0.90 PKM (0.60) AKT1ALDH1A1MEN1KMT2AGAA
SCHEMBL11893062 0.85 RECQL (0.65) AKT1ALDH1A1PKMHSD17B10CA1
SCHEMBL10108464 0.84 AKT1 (0.66) AKT1ALDH1A1MEN1KMT2APKM
SCHEMBL287025 0.82 AKT1 (1.00) AKT1ALDH1A1MEN1KMT2AGAA
SCHEMBL282800 0.82 AKT1 (0.82) AKT1ALDH1A1MEN1KMT2AGAA
SCHEMBL12829987 0.82 AKT1 (0.55) AKT1ALDH1A1MEN1KMT2APKM
SCHEMBL328511 0.82 ALDH1A1 (0.67) AKT1ALDH1A1MEN1KMT2AGAA
SCHEMBL282833 0.80 AKT1 (0.78) AKT1ALDH1A1MEN1KMT2AGAA
SCHEMBL11891683 0.79 AKT1 (0.77) AKT1ALDH1A1MEN1KMT2AGAA
SCHEMBL5402056 0.79 MEN1 (1.00) AKT1ALDH1A1MEN1KMT2AGAA

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 92/4885ALDH1A1 4424/4885MEN1 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 80/4885ALDH1A1 4500/4885MEN1 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.