SCHEMBL633335

SCHEMBL633335

COc1ccc(S(=O)(=O)Nc2nsc(-c3cccc([N+](=O)[O-])c3)n2)cc1OC

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMO O15229 5/20 0.65
POLB P06746 1/20 0.50
PLAU P00749 1/20 0.49
L3MBTL1 Q9Y468 2/20 0.46
HPGD P15428 1/20 0.46
TSHR P16473 1/20 0.45
MEN1 O00255 1/20 0.45
PLA2G1B P04054 1/20 0.45
MAPT P10636 1/20 0.45
KMT2A Q03164 1/20 0.45
ATG4B Q9Y4P1 1/20 0.45
ABCG2 Q9UNQ0 1/20 0.44
CA12 O43570 1/20 0.44
CA9 Q16790 1/20 0.44
STAT3 P40763 1/20 0.44
HTR6 P50406 1/20 0.44
LMNA P02545 1/20 0.43

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
SCHEMBL14256353 0.87 KMO (0.49) KMOPOLBL3MBTL1MEN1MAPT
SCHEMBL634351 0.85 CA12 (0.57) TSHRMEN1MAPTKMT2ACA12
SCHEMBL633155 0.83 KMO (0.71) KMOPOLBPLAUMEN1KMT2A
SCHEMBL633393 0.82 KMO (0.72) KMOPOLBPLAUHPGDMEN1
SCHEMBL634252 0.80 KMO (0.62) KMOPOLBPLAUL3MBTL1HPGD
SCHEMBL633299 0.79 ALDH1A1 (0.55) TSHRMEN1MAPTKMT2ACA12
SCHEMBL16510166 0.79 MAPT (0.45) KMOPOLBL3MBTL1MEN1MAPT
SCHEMBL29379527 0.78 KMO (1.00) KMOPOLBMEN1PLA2G1BMAPT
SCHEMBL424256 0.78 KMO (1.00) KMOPOLBMEN1PLA2G1BMAPT
SCHEMBL633487 0.77 KMO (0.66) KMOPOLBPLAUL3MBTL1HPGD

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2420494-B1 Use of thiadiazole compounds as inhibitors of kynurenine-3-monooxygenase J DAVID GLADSTONE INST A TESTAMENTARY TRUST ESTABLISHED UNDER THE WILL OF J DAVID GLADSTONE (US) 2014-10-08 EP claimed
US-8466182-B2 Small molecule inhibitors of kynurenine-3-monooxygenase THE J. DAVID GLADSTONE INSTITUTES, A TESTAMENTARY TRUST ESTABLISHED UNDER THE WILL OF J. DAVID GLADSTONE (US) 2013-06-18 US claimed
US-20120046324-A1 SMALL MOLECULE INHIBITORS OF KYNURENINE-3-MONOOXYGENASE THE J. DAVID GLADSTONE INSTITUTES, A TESTAMENTARY TRUST ESTABLISHED 2012-02-23 US claimed
EP-2420494-A1 Use of thiadiazole compounds as inhibitors of kynurenine-3-monooxygenase The J. David Gladstone Institutes, A Testamentary Trust Established under The Will of J. David Gladstone (US) 2012-02-22 EP claimed
US-8071631-B2 An enzyme in the tryptophan degradation pathway, used to treat neurodegenerative disorders, certain cancers, drug addiction; arylsulfonamides such as 3,4-dimethoxy-N-[5-(4-chlorophenyl)-1,2,4-thiadiazole-3-yl]benzenesulfonamide THE J. DAVID GLADSTONE INSTITUTES, A TESTAMENTARY TRUST ESTABLISHED UNDER THE WILL OF J. DAVID GLADSTONE (US) 2011-12-06 US claimed
US-20080070937-A1 SMALL MOLECULE INHIBITORS OF KYNURENINE-3-MONOOXYGENASE J. DAVID GLADSTONE INSTITUTES 2008-03-20 US claimed
WO-2016193499-A1 IMMUNOMODULATORY ANTIBODY OR IMMUNOTHERAPEUTIC, AGENT WHICH INCREASES AND/OR MIMICKS KYNURENINE, AND OPTIONAL COMBINATION THEREOF IMMUSMOL SAS (FR) 2016-12-08 WO disclosed
EP-2420494-B1 Use of thiadiazole compounds as inhibitors of kynurenine-3-monooxygenase J DAVID GLADSTONE INST A TESTAMENTARY TRUST ESTABLISHED UNDER THE WILL OF J DAVID GLADSTONE (US) 2014-10-08 EP disclosed
US-8466182-B2 Small molecule inhibitors of kynurenine-3-monooxygenase THE J. DAVID GLADSTONE INSTITUTES, A TESTAMENTARY TRUST ESTABLISHED UNDER THE WILL OF J. DAVID GLADSTONE (US) 2013-06-18 US disclosed
US-8466182-B2 Small molecule inhibitors of kynurenine-3-monooxygenase THE J. DAVID GLADSTONE INSTITUTES, A TESTAMENTARY TRUST ESTABLISHED UNDER THE WILL OF J. DAVID GLADSTONE (US) 2013-06-18 US disclosed
US-20120046324-A1 SMALL MOLECULE INHIBITORS OF KYNURENINE-3-MONOOXYGENASE THE J. DAVID GLADSTONE INSTITUTES, A TESTAMENTARY TRUST ESTABLISHED 2012-02-23 US disclosed
EP-2420494-A1 Use of thiadiazole compounds as inhibitors of kynurenine-3-monooxygenase The J. David Gladstone Institutes, A Testamentary Trust Established under The Will of J. David Gladstone (US) 2012-02-22 EP disclosed
US-8071631-B2 An enzyme in the tryptophan degradation pathway, used to treat neurodegenerative disorders, certain cancers, drug addiction; arylsulfonamides such as 3,4-dimethoxy-N-[5-(4-chlorophenyl)-1,2,4-thiadiazole-3-yl]benzenesulfonamide THE J. DAVID GLADSTONE INSTITUTES, A TESTAMENTARY TRUST ESTABLISHED UNDER THE WILL OF J. DAVID GLADSTONE (US) 2011-12-06 US disclosed
US-20080070937-A1 SMALL MOLECULE INHIBITORS OF KYNURENINE-3-MONOOXYGENASE J. DAVID GLADSTONE INSTITUTES 2008-03-20 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 (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-20080070937-A1 SMALL MOLECULE INHIBITORS OF KYNURENINE-3-MONOOXYGENASE KMO, KYNU, TDO2 KMO 1/4885POLB 2514/4885PLAU 1828/4885
US-20120046324-A1 SMALL MOLECULE INHIBITORS OF KYNURENINE-3-MONOOXYGENASE KMO, KYNU, TDO2 KMO 1/4885POLB 2514/4885PLAU 1828/4885

“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.