SCHEMBL3784384

SCHEMBL3784384

COc1nc(CSC)nc(OC)n1

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.33
NOS1 P29475 1/20 0.33
NOS2 P35228 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP1A2 P05177 1/20 0.31
CYP2C19 P33261 1/20 0.31

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
SCHEMBL11000465 0.86 TSHR (0.34) ALDH1A1CYP1A2CYP2C19
SCHEMBL2887498 0.73 LMNA (0.41) NOS3NOS1NOS2ALDH1A1CYP1A2
SCHEMBL33145 0.72 ALDH1A1 (0.43) ALDH1A1CYP1A2CYP2C19
SCHEMBL11936455 0.72 CYP1A2 (0.38) ALDH1A1CYP1A2CYP2C19
SCHEMBL14554109 0.70 ALDH1A1 (0.35) ALDH1A1CYP1A2CYP2C19
SCHEMBL9051621 0.70 ALDH1A1 (0.35) ALDH1A1CYP1A2CYP2C19
SCHEMBL4383250 0.70 ALDH1A1 (0.35) ALDH1A1CYP1A2CYP2C19
SCHEMBL10920679 0.68 CYP1A2 (0.44) ALDH1A1CYP1A2CYP2C19
SCHEMBL6015043 0.67 LMNA (0.43) NOS3NOS1NOS2ALDH1A1CYP1A2
SCHEMBL16644123 0.67 HSP90AB1 (0.31)

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
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
CN-102633729-B A use of sulfonanilides as herbicide BAYER CROPSCIENCE AG 2015-06-03 CN 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-20100323896-A1 USE OF SULFONANILIDES AS HERBICIDE BAYER CROPSCIENCE AG (DE) 2010-12-23 US disclosed
CN-101848641-A Sulfonanilide compounds is as the purposes of weed killer herbicide BAYER CROPSCIENCE AG 2010-09-29 CN disclosed
US-20090305894-A1 use of sulfonanilides as herbicide BAYER CROPSCIENCE AG (DE) 2009-12-10 US disclosed
US-20090062536-A1 USE OF SULFONANILIDE COMPOUNDS AS HERBICIDE BAYER CROPSCIENCE AG 2009-03-05 US disclosed
WO-2009024251-A2 USE OF SULFONANILIDE COMPOUNDS AS HERBICIDE BAYER CROPSCIENCE AG (DE) 2009-02-26 WO disclosed
EP-1928242-A2 A USE OF SULFONANILIDES AS HERBICIDE Bayer CropScience AG (DE) 2008-06-11 EP disclosed
WO-2007031208-A2 A USE OF SULFONANILIDES AS HERBICIDE BAYER CROPSCIENCE AG (DE) 2007-03-22 WO disclosed
WO-1996041799-A1 SULPHONAMIDES AS HERBICIDES AND PLANT-GROWTH REGULATORS HOECHST SCHERING AGREVO GMBH (DE) 1996-12-27 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-20140024828-A1 Method for producing 2-(triazinylcarbonyl) sulfonanilides AOX1, SULT1E1, CBR1 NOS3 644/4885NOS1 342/4885NOS2 394/4885
US-20090062536-A1 USE OF SULFONANILIDE COMPOUNDS AS HERBICIDE CBR3, BRS3, PHF13 NOS3 664/4885NOS1 2850/4885NOS2 1532/4885
US-20100323896-A1 USE OF SULFONANILIDES AS HERBICIDE CBR3, HCAR3, HCRTR1 NOS3 1654/4885NOS1 3263/4885NOS2 3362/4885
US-20090305894-A1 use of sulfonanilides as herbicide CBR3, HCAR3, CBR1 NOS3 1697/4885NOS1 3317/4885NOS2 3359/4885

“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.