SCHEMBL10108464

SCHEMBL10108464

CC1OC(Cc2nnc(NS(=O)(=O)c3ccc(N)cc3)s2)O1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 2/20 0.66
ALDH1A1 P00352 8/20 0.56
LMNA P02545 1/20 0.56
CA12 O43570 1/20 0.52
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
CA3 P07451 1/20 0.52
CA6 P23280 1/20 0.52
CA5A P35218 1/20 0.52
CA9 Q16790 1/20 0.52
CA14 Q9ULX7 1/20 0.52
CA5B Q9Y2D0 1/20 0.52
RECQL P46063 1/20 0.51
HPGD P15428 2/20 0.50
HSD17B10 Q99714 2/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
PKM P14618 2/20 0.49
ATM Q13315 1/20 0.49
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47

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
SCHEMBL11893062 0.89 RECQL (0.65) AKT1ALDH1A1CA1CA2RECQL
SCHEMBL10108457 0.84 AKT1 (0.69) AKT1ALDH1A1CA1CA2CA9
SCHEMBL11893030 0.82 PKM (0.60) AKT1ALDH1A1HSD17B10PKMMEN1
Sulfaethidole SCHEMBL152872 0.80 AKT1 (1.00) AKT1ALDH1A1LMNACA12CA1
SCHEMBL11893089 0.80 AKT1 (0.79) AKT1ALDH1A1LMNACA12CA1
SCHEMBL10108468 0.80 AKT1 (0.52) AKT1ALDH1A1RECQLPKMATM
SCHEMBL2194477 0.79 RECQL (0.79) AKT1ALDH1A1LMNACA12CA1
Sulfaethidole SCHEMBL10510090 0.79 AKT1 (0.97) AKT1ALDH1A1LMNACA12CA1
Sulfaethidole SCHEMBL1651230 0.78 AKT1 (0.95) AKT1ALDH1A1LMNACA12CA1
SCHEMBL283033 0.77 AKT1 (0.75) AKT1ALDH1A1LMNACA12CA1

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 4424/4885LMNA 2456/4885
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 4500/4885LMNA 1690/4885

“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.