SCHEMBL879593

SCHEMBL879593

COc1nc(C)cnc1NS(=O)(=O)c1cccnc1-c1ccc(C(=O)NN)cc1

nearest known ligand 0.70

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ABCB11 O95342 1/20 0.70
EDNRA P25101 13/20 0.65
CCR4 P51679 6/20 0.52

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
SCHEMBL7360560 0.90 ABCB11 (0.71) ABCB11EDNRACCR4
SCHEMBL7364303 0.90 ABCB11 (0.70) ABCB11EDNRACCR4
SCHEMBL7364530 0.90 ABCB11 (0.70) ABCB11EDNRACCR4
SCHEMBL5020959 0.88 ABCB11 (0.64) ABCB11EDNRACCR4
SCHEMBL7365241 0.87 ABCB11 (0.75) ABCB11EDNRACCR4
SCHEMBL7359675 0.87 ABCB11 (0.68) ABCB11EDNRACCR4
SCHEMBL7361361 0.87 ABCB11 (0.73) ABCB11EDNRACCR4
SCHEMBL7362617 0.86 ABCB11 (0.77) ABCB11EDNRACCR4
SCHEMBL7358677 0.85 ABCB11 (0.73) ABCB11EDNRACCR4
SCHEMBL7359279 0.85 ABCB11 (0.75) ABCB11EDNRACCR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120177705-A1 COMPOSITION 064 ASTRAZENECA AB (SE) 2012-07-12 US disclosed
US-20120177705-A1 COMPOSITION 064 ASTRAZENECA AB (SE) 2012-07-12 US disclosed
US-8168221-B2 Composition 064 ASTRAZENECA AB (SE) 2012-05-01 US disclosed
US-8168221-B2 Composition 064 ASTRAZENECA AB (SE) 2012-05-01 US disclosed
US-20120101109-A1 ETHANOLAMINE SALT OF N- (3-METHOXY-5-METHYLPYRAZIN-2YL) -2- (4-[1, 3, 4-OXADIAZOLE-2-YL] PHENYL) PYRIDINE-3- SULPHONAMIDE ASTRAZENECA AB (SE) 2012-04-26 US disclosed
US-20120101109-A1 ETHANOLAMINE SALT OF N- (3-METHOXY-5-METHYLPYRAZIN-2YL) -2- (4-[1, 3, 4-OXADIAZOLE-2-YL] PHENYL) PYRIDINE-3- SULPHONAMIDE ASTRAZENECA AB (SE) 2012-04-26 US disclosed
EP-2433620-A1 Zibotentan Composition AstraZeneca AB (SE) 2012-03-28 EP disclosed
US-20090099203-A1 COMPOSITION 064 ASTRAZENECA AB (SE) 2009-04-16 US disclosed
US-20090099203-A1 COMPOSITION 064 ASTRAZENECA AB (SE) 2009-04-16 US disclosed
WO-2009047565-A2 COMPOSITION 064 ASTRAZENECA AB (SE) 2009-04-16 WO disclosed
US-20080221124-A1 Ethanolamine Salt of N- (3-Methoxy-5-Methylpyrazin-2Yl) -2- (4-[1, 3, 4-Oxadiazole-2-Yl] Phenyl) Pyridine-3-Sulphonamide ASTRAZENECA AB (SE) 2008-09-11 US disclosed
US-20080221124-A1 Ethanolamine Salt of N- (3-Methoxy-5-Methylpyrazin-2Yl) -2- (4-[1, 3, 4-Oxadiazole-2-Yl] Phenyl) Pyridine-3-Sulphonamide ASTRAZENECA AB (SE) 2008-09-11 US disclosed
WO-2007010235-A1 ETHANOLAMINE SALT OF N- (3-METHOXY-5-METHYLPYRAZIN-2YL) -2- (4- [1 , 3 , 4-0XADIAZ0LE-2-YL] PHENYL) PYRIDINE-3- SULPHONAMIDE ASTRAZENECA AB (SE) 2007-01-25 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 (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-20120101109-A1 ETHANOLAMINE SALT OF N- (3-METHOXY-5-METHYLPYRAZIN-2YL) -2- (4-[1, 3, 4-OXADIAZOLE-2-YL] PHENYL) PYRIDINE-3- SULPHONAMIDE SELENOI, PNMT, SLC6A3 ABCB11 1151/4885EDNRA 1067/4885CCR4 4114/4885
US-20090099203-A1 COMPOSITION 064 MGAM, MAST4, MANBA ABCB11 1077/4885EDNRA 2957/4885CCR4 656/4885
US-20080221124-A1 Ethanolamine Salt of N- (3-Methoxy-5-Methylpyrazin-2Yl) -2- (4-[1, 3, 4-Oxadiazole-2-Yl] Phenyl) Pyridine-3-Sulphonamide SELENOI, PNMT, NNMT ABCB11 2042/4885EDNRA 1047/4885CCR4 4013/4885
US-20120177705-A1 COMPOSITION 064 MGAM, MAST4, MANBA ABCB11 1077/4885EDNRA 2957/4885CCR4 656/4885

“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.