SCHEMBL10068049

SCHEMBL10068049

COc1nc(OC)nc(C(=O)c2cccc(OC)c2NS(=O)(=O)C(F)F)n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 2/20 0.36
MLKL Q8NB16 1/20 0.35
THRB P10828 1/20 0.35
KAT6A Q92794 2/20 0.34
APLNR P35414 2/20 0.33
ALDH1A1 P00352 1/20 0.33
TAS1R3 Q7RTX0 1/20 0.33
TAS1R1 Q7RTX1 1/20 0.33
TAS1R2 Q8TE23 1/20 0.33
GAA P10253 1/20 0.33
CNR2 P34972 1/20 0.33
NPC1 O15118 3/20 0.33
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
ACHE P22303 1/20 0.33
CA12 O43570 1/20 0.32
CA9 Q16790 1/20 0.32
POLB P06746 1/20 0.32
RAB9A P51151 1/20 0.32
KCNK3 O14649 1/20 0.32

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
SCHEMBL14582535 0.91 APLNR (0.36) RXFP1MLKLTHRBKAT6AAPLNR
SCHEMBL2615681 0.89 NPC1 (0.37) MLKLKAT6AALDH1A1GAANPC1
SCHEMBL13936700 0.89 MLKL (0.33) MLKLNPC1RAB9A
SCHEMBL3826176 0.88 MLKL (0.35) MLKL
SCHEMBL2615674 0.88 CCR9 (0.39) MLKLSMN1; SMN2HPGD
SCHEMBL3834184 0.88 MLKL (0.33) MLKLALDH1A1NPC1CA1CA2
SCHEMBL9953390 0.83 NPC1 (0.34) MLKLKAT6AALDH1A1GAANPC1
SCHEMBL10067866 0.82 KMT2A (0.40) ALDH1A1NPC1POLBSMN1; SMN2KDM4E
SCHEMBL13168812 0.82 CCR9 (0.36) MLKL
SCHEMBL3803834 0.82 CASK (0.30) NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9096551-B2 Method for producing 2-(triazinylcarbonyl) sulfonanilides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-08-04 US disclosed
US-9096551-B2 Method for producing 2-(triazinylcarbonyl) sulfonanilides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-08-04 US disclosed
US-9096551-B2 Method for producing 2-(triazinylcarbonyl) sulfonanilides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-08-04 US disclosed
EP-2655346-B1 PROCESS FOR THE PREPARATION OF 2-(TRIAZINYLCARBONYL)SULFONANILIDES BAYER IP GMBH (DE) 2015-01-21 EP disclosed
EP-2655346-B1 PROCESS FOR THE PREPARATION OF 2-(TRIAZINYLCARBONYL)SULFONANILIDES BAYER IP GMBH (DE) 2015-01-21 EP disclosed
US-20140024828-A1 Method for producing 2-(triazinylcarbonyl) sulfonanilides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-01-23 US disclosed
US-20140024828-A1 Method for producing 2-(triazinylcarbonyl) sulfonanilides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-01-23 US disclosed
US-20140024828-A1 Method for producing 2-(triazinylcarbonyl) sulfonanilides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-01-23 US disclosed
WO-2012084857-A2 METHOD FOR PRODUCING 2-(TRIAZINYLCARBONYL) SULFONANILIDES BAYER CROPSCIENCE AG (DE) 2012-06-28 WO disclosed
US-20100323896-A1 USE OF SULFONANILIDES AS HERBICIDE BAYER CROPSCIENCE AG (DE) 2010-12-23 US disclosed
US-20090305894-A1 use of sulfonanilides as herbicide BAYER CROPSCIENCE AG (DE) 2009-12-10 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 (3 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-20140024828-A1 Method for producing 2-(triazinylcarbonyl) sulfonanilides AOX1, SULT1E1, CBR1 RXFP1 3369/4885MLKL 3512/4885THRB 3031/4885
US-20100323896-A1 USE OF SULFONANILIDES AS HERBICIDE CBR3, HCAR3, HCRTR1 RXFP1 671/4885MLKL 4541/4885THRB 1284/4885
US-20090305894-A1 use of sulfonanilides as herbicide CBR3, HCAR3, CBR1 RXFP1 675/4885MLKL 4559/4885THRB 1268/4885

“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.