SCHEMBL425898

SCHEMBL425898

COc1ccc(S(=O)(=O)N(c2nc(-c3cccc([N+](=O)[O-])c3)cs2)C(C)C(=O)O)cc1OC

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMO O15229 4/20 0.59
MAPT P10636 7/20 0.46
RAB9A P51151 2/20 0.46
RECQL P46063 1/20 0.46
AKR1C3 P42330 1/20 0.45
AKR1C2 P52895 1/20 0.45
ALDH1A1 P00352 4/20 0.44
CSNK2A1 P68400 4/20 0.43
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
KDM4E B2RXH2 2/20 0.43
MAPK1 P28482 1/20 0.43
HTT P42858 1/20 0.43
GAA P10253 1/20 0.42

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
SCHEMBL424171 0.87 KMO (0.57) KMOMAPTRAB9ARECQLAKR1C3
SCHEMBL422806 0.85 KMO (0.60) KMOMAPTRAB9ARECQLALDH1A1
SCHEMBL426460 0.84 KMO (0.66) KMOMAPTRAB9ARECQLALDH1A1
SCHEMBL461846 0.84 KMO (0.57) KMOMAPTRAB9ARECQLALDH1A1
SCHEMBL12384994 0.84 KMO (0.64) KMOMAPTRAB9ARECQLALDH1A1
SCHEMBL10182167 0.84 KMO (0.63) KMOMAPTRAB9ARECQLALDH1A1
SCHEMBL10183378 0.82 KMO (0.63) KMOMAPTRAB9ARECQLALDH1A1
SCHEMBL424264 0.81 KMO (0.62) KMOMAPTRAB9ARECQLALDH1A1
SCHEMBL12384992 0.81 KMO (0.58) KMOMAPTRAB9ARECQLALDH1A1
SCHEMBL10182851 0.80 KMO (0.57) KMOMAPTRAB9ARECQLALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2054397-B1 SMALL MOLECULE INHIBITORS OF KYNURENINE-3-MONOOXYGENASE J DAVID GLADSTONE INST A TESTAMENTARY TRUST ESTABLISHED UNDER THE WILL OF J DAVID GLADSTONE (US) 2015-10-07 EP claimed
US-20080070905-A1 SMALL MOLECULE INHIBITORS OF KYNURENINE-3-MONOOXYGENASE J. DAVID GLADSTONE INSTITUTES 2008-03-20 US claimed
EP-2054397-B1 SMALL MOLECULE INHIBITORS OF KYNURENINE-3-MONOOXYGENASE J DAVID GLADSTONE INST A TESTAMENTARY TRUST ESTABLISHED UNDER THE WILL OF J DAVID GLADSTONE (US) 2015-10-07 EP disclosed
US-8710237-B2 Small molecule inhibitors of kynurenine-3-monooxygenase THE J. DAVID GLADSTONE INSTITUTE (US) 2014-04-29 US disclosed
US-20120022052-A1 SMALL MOLECULE INHIBITORS OF KYNURENINE-3-MONOOXYGENASE THE J. DAVID GLADSTONE INSTITUTES, A TESTAMENTARY TRUST ESTABLISHED UNDER 2012-01-26 US disclosed
US-7994338-B2 An enzyme in the tryptophan degradation pathway, used to treat neurodegenerative disorders, certain cancers, drug addiction; 2-sulfonamido-substituted oxazole, imidazole or thiazole compounds such as 3,4-dimethoxy-N-[4-(3-nitrophenyl)-5-dimethylaminomethyl-1,3-thiazole-2-yl]benzenesulfonamide THE J. DAVID GLADSTONE INSTITUTES (US) 2011-08-09 US disclosed
EP-2054397-A1 SMALL MOLECULE INHIBITORS OF KYNURENINE-3-MONOOXYGENASE The J. David Gladstone Institutes, A Testamentary Trust Established under The Will of J. David Gladstone (US) 2009-05-06 EP disclosed
US-20080070905-A1 SMALL MOLECULE INHIBITORS OF KYNURENINE-3-MONOOXYGENASE J. DAVID GLADSTONE INSTITUTES 2008-03-20 US disclosed
WO-2008022281-A1 SMALL MOLECULE INHIBITORS OF KYNURENINE-3-MONOOXYGENASE THE J. DAVID GLADSTONE INSTITUTES, A TESTAMENTARY TRUST ESTABLISHED UNDER THE WILL OF J. DAVID GLADSTONE (US) 2008-02-21 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-20120022052-A1 SMALL MOLECULE INHIBITORS OF KYNURENINE-3-MONOOXYGENASE KMO, KYNU, TDO2 KMO 1/4885MAPT 898/4885RAB9A 4373/4885
US-20080070905-A1 SMALL MOLECULE INHIBITORS OF KYNURENINE-3-MONOOXYGENASE KMO, KYNU, TDO2 KMO 1/4885MAPT 898/4885RAB9A 4373/4885

“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.