SCHEMBL328511

SCHEMBL328511

CC(=O)Nc1ccc(S(=O)(=O)Nc2nnc(C3OC(C)O3)s2)cc1

nearest known ligand 0.67

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.67
HSD17B10 Q99714 3/20 0.67
AKT1 P31749 2/20 0.60
PKM P14618 2/20 0.60
CA1 P00915 1/20 0.60
CA2 P00918 1/20 0.60
CA9 Q16790 1/20 0.60
MEN1 O00255 5/20 0.57
KMT2A Q03164 5/20 0.57
MAPK1 P28482 2/20 0.57
MAPT P10636 2/20 0.57
GAA P10253 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.47
HPGD P15428 1/20 0.46
KLKB1 P03952 1/20 0.46
CTSB P07858 1/20 0.46
ELANE P08246 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
SCHEMBL11893063 0.88 MEN1 (0.53) ALDH1A1HSD17B10AKT1PKMCA1
SCHEMBL11893066 0.83 CA1 (0.55) ALDH1A1HSD17B10PKMCA1CA2
SCHEMBL10108457 0.82 AKT1 (0.69) ALDH1A1HSD17B10AKT1PKMCA1
SCHEMBL328512 0.80 AKT1 (0.51) ALDH1A1HSD17B10AKT1PKMCA1
SCHEMBL286629 0.78 ALDH1A1 (0.71) ALDH1A1HSD17B10AKT1PKMCA1
SCHEMBL328514 0.76 ALDH1A1 (0.68) ALDH1A1HSD17B10AKT1PKMCA1
SCHEMBL328518 0.75 ALDH1A1 (0.69) ALDH1A1HSD17B10AKT1PKMCA1
SCHEMBL5394726 0.75 ALDH1A1 (0.67) ALDH1A1HSD17B10AKT1PKMCA1
SCHEMBL286763 0.75 ALDH1A1 (1.00) ALDH1A1HSD17B10AKT1PKMCA1
SCHEMBL287025 0.75 AKT1 (1.00) ALDH1A1HSD17B10AKT1PKMMEN1

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 4 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-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 ALDH1A1 4424/4885HSD17B10 2914/4885AKT1 92/4885
US-20120189670-A1 PHARMACEUTICAL COMPOSITIONS AND FORMULATIONS INCLUDING INHIBITORS OF THE PLECKSTRIN HOMOLOGY DOMAIN AND METHODS FOR USING SAME PLEKHG3, PLEC, PLEKHA1 ALDH1A1 4500/4885HSD17B10 3082/4885AKT1 80/4885

“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.