SCHEMBL11891766

SCHEMBL11891766

COc1nc(CO)cc(NS(=O)(=O)c2ccc(C(C)=O)cc2)n1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.55
HTT P42858 2/20 0.55
AKT1 P31749 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
KMT2A Q03164 7/20 0.52
LMNA P02545 1/20 0.51
CYP3A4 P08684 1/20 0.51
HTR6 P50406 1/20 0.51
POLB P06746 1/20 0.49
TP53 P04637 1/20 0.48
MEN1 O00255 4/20 0.47
MAPT P10636 2/20 0.47
HPGD P15428 2/20 0.47
KDM4E B2RXH2 1/20 0.47
ALOX12 P18054 1/20 0.46
FFAR4 Q5NUL3 1/20 0.45
GAA P10253 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
SCHEMBL19911645 0.86 HTR6 (0.70) ALDH1A1HTTAKT1SMN1; SMN2KMT2A
SCHEMBL328330 0.84 ALDH1A1 (0.74) ALDH1A1HTTAKT1SMN1; SMN2KMT2A
SCHEMBL5449670 0.74 ALDH1A1 (0.73) ALDH1A1HTTAKT1SMN1; SMN2KMT2A
SCHEMBL13453473 0.73 KMT2A (0.86) ALDH1A1HTTAKT1SMN1; SMN2KMT2A
SCHEMBL18560172 0.69 HTR6 (0.74) ALDH1A1HTTAKT1SMN1; SMN2KMT2A
SCHEMBL7824834 0.69 ALDH1A1 (0.78) ALDH1A1HTTAKT1SMN1; SMN2KMT2A
SCHEMBL5560159 0.68 KDM4E (0.71) ALDH1A1SMN1; SMN2KMT2ALMNAPOLB
SCHEMBL5565365 0.68 CA12 (0.54) ALDH1A1SMN1; SMN2KMT2ALMNATP53
Sulfadimethoxine SCHEMBL29363944 0.68 LMNA (1.00) ALDH1A1HTTAKT1SMN1; SMN2KMT2A
Sulfadimethoxine SCHEMBL93845 0.68 LMNA (1.00) ALDH1A1HTTAKT1SMN1; SMN2KMT2A

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 7 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-8962663-B2 Small molecule inhibitors of the pleckstrin homology domain and methods for using same BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2015-02-24 US disclosed
US-20130184317-A1 SMALL MOLECULE INHIBITORS OF THE PLECKSTRIN HOMOLOGY DOMAIN AND METHODS FOR USING SAME ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) 2013-07-18 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 (4 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 4424/4885HTT 1878/4885AKT1 92/4885
US-20150126563-A1 SMALL MOLECULE INHIBITORS OF THE PLECKSTRIN HOMOLOGY DOMAIN AND METHODS FOR USING SAME PLEKHG3, PLEKHA1, PLEC ALDH1A1 4424/4885HTT 1878/4885AKT1 92/4885
US-20130184317-A1 SMALL MOLECULE INHIBITORS OF THE PLECKSTRIN HOMOLOGY DOMAIN AND METHODS FOR USING SAME PLEKHG3, PLEKHA1, PLEC ALDH1A1 4424/4885HTT 1878/4885AKT1 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 4500/4885HTT 1140/4885AKT1 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.