SCHEMBL423771

SCHEMBL423771

N=C(N)c1ccc(S(=O)(=O)Cl)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 6/20 0.58
PRSS1 P07477 5/20 0.58
PRSS3 P35030 5/20 0.58
PRSS2 P07478 4/20 0.58
TMPRSS6 Q8IU80 3/20 0.51
LMNA P02545 2/20 0.50
PLAU P00749 2/20 0.48
MASP2 O00187 1/20 0.48
THPO P40225 1/20 0.48
APEX1 P27695 1/20 0.46
ALDH1A1 P00352 2/20 0.45
HSD17B10 Q99714 2/20 0.45
ST14 Q9Y5Y6 2/20 0.45
PRMT5 O14744 1/20 0.45
PRMT1 Q99873 1/20 0.45
HPGD P15428 1/20 0.45
CYP2C19 P33261 1/20 0.45
F10 P00742 2/20 0.44
F12 P00748 1/20 0.44
F7 P08709 1/20 0.44

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
SCHEMBL4718976 0.80 CA2 (0.67) F2PRSS1PRSS3PRSS2TMPRSS6
SCHEMBL4718975 0.80 F2 (0.60) F2PRSS1PRSS3PRSS2TMPRSS6
SCHEMBL7347493 0.80 CA2 (0.65) F2PRSS1PRSS3PRSS2LMNA
SCHEMBL7106023 0.78 F2 (0.58) F2PRSS1PRSS3PRSS2TMPRSS6
SCHEMBL1818606 0.78 PRSS1 (0.58) F2PRSS1PRSS3PRSS2TMPRSS6
Hydrochloric Acid SCHEMBL4176794 0.77 PRSS1 (0.56) F2PRSS1PRSS3PRSS2TMPRSS6
SCHEMBL4654362 0.77 ALDH1A1 (0.52) ALDH1A1HSD17B10CYP2C19TDP1CA1
SCHEMBL7347488 0.76 ALDH1A1 (0.46) ALDH1A1HSD17B10CYP2C19TDP1CA1
SCHEMBL651902 0.75 ALDH1A1 (0.71) LMNAALDH1A1HSD17B10TDP1CA1
SCHEMBL537030 0.75 LMNA (0.77) F2PRSS1PRSS3PRSS2TMPRSS6

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 135 patents — showing the first 20. 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 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-8710237-B2 Small molecule inhibitors of kynurenine-3-monooxygenase THE J. DAVID GLADSTONE INSTITUTE (US) 2014-04-29 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-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-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-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
US-7973044-B2 Heteroaryl, heterocyclic and aryl compounds which inhibit leukocyte adhesion mediated by VLA-4 ELAN PHARMACEUTICALS, INC. (US) 2011-07-05 US disclosed
EP-0994895-A1 DIPEPTIDE COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 Elan Pharmaceuticals, Inc. (US) 2000-04-26 EP disclosed
EP-0994896-A1 SULFONYLATED DIPEPTIDE COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 Elan Pharmaceuticals, Inc. (US) 2000-04-26 EP disclosed
WO-1999006437-A1 SULFONYLATED DIPEPTIDE COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 ELAN PHARMACEUTICALS INC. (US) 1999-02-11 WO disclosed
WO-1999006434-A1 4-AMINO-PHENYLALANINE TYPE COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 ELAN PHARMACEUTICALS INC. (US) 1999-02-11 WO disclosed
WO-1999006433-A1 COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 ELAN PHARMACEUTICALS, INC. (US) 1999-02-11 WO disclosed
WO-1999006432-A1 DIPEPTIDE AND RELATED COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 ELAN PHARMACEUTICALS, INC. (US) 1999-02-11 WO disclosed
WO-1999006431-A1 SUBSTITUTED PHENYLALANINE TYPE COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 ELAN PHARMACEUTICALS, INC. (US) 1999-02-11 WO disclosed
WO-1999006435-A1 DIPEPTIDE COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 ELAN PHARMACEUTICALS, INC. (US) 1999-02-11 WO disclosed
WO-1999006436-A1 BENZYL COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 ELAN PHARMACEUTICALS, INC. (US) 1999-02-11 WO disclosed
WO-1999006390-A1 CARBAMYLOXY COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 ELAN PHARMACEUTICALS, INC. (US) 1999-02-11 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 F2 735/4885PRSS1 555/4885PRSS3 496/4885
US-20120046324-A1 SMALL MOLECULE INHIBITORS OF KYNURENINE-3-MONOOXYGENASE KMO, KYNU, TDO2 F2 615/4885PRSS1 489/4885PRSS3 434/4885

“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.