SCHEMBL3290526

SCHEMBL3290526

COC(=O)Nc1nc(OC)nc(C(F)(F)F)n1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.35
MAPK1 P28482 3/20 0.35
LMNA P02545 3/20 0.35
NPSR1 Q6W5P4 2/20 0.35
HTT P42858 1/20 0.35
GAA P10253 1/20 0.33
CYP1A2 P05177 1/20 0.33
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
TP53 P04637 1/20 0.33
ALOX15 P16050 1/20 0.33
KDM4E B2RXH2 1/20 0.32
POLB P06746 1/20 0.32
ITGB1 P05556 1/20 0.31
ITGA4 P13612 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
SCHEMBL8883302 0.82 MAPT (0.46) MAPTLMNANPSR1HTTGAA
SCHEMBL9368620 0.82 ALDH1A1 (0.45) MAPTLMNAHTTGAACYP1A2
SCHEMBL11060398 0.80 GAA (0.38) MAPTMAPK1LMNANPSR1HTT
SCHEMBL9155654 0.79 MAPK1 (0.42) MAPTMAPK1LMNANPSR1CYP1A2
SCHEMBL9480478 0.76 GAA (0.47) MAPTLMNANPSR1HTTGAA
SCHEMBL3950171 0.72 KDM4E (0.39) MAPTLMNANPSR1HTTGAA
SCHEMBL11699857 0.72 ALDH1A1 (0.37) MAPTLMNANPSR1HTTGAA
SCHEMBL2910688 0.72 LMNA (0.47) MAPTLMNANPSR1HTTCYP1A2
SCHEMBL11795513 0.68 POLB (0.48) MAPTNPSR1HTTCYP1A2KMT2A
SCHEMBL13012211 0.67 GAA (0.37) GAA

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 44 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100285963-A1 SUBSTITUTED FLUOROALKOXYPHENYLSULFONYLUREAS MULLER KLAUS-HELMUT 2010-11-11 US disclosed
US-20100285963-A1 SUBSTITUTED FLUOROALKOXYPHENYLSULFONYLUREAS MULLER KLAUS-HELMUT 2010-11-11 US disclosed
US-20100285963-A1 SUBSTITUTED FLUOROALKOXYPHENYLSULFONYLUREAS MULLER KLAUS-HELMUT 2010-11-11 US disclosed
US-7723266-B2 Substituted aryl sulphony(thio)ureas used as herbicides BAYER AKTIENGESELLSCHAFT (DE) 2010-05-25 US disclosed
US-7723266-B2 Substituted aryl sulphony(thio)ureas used as herbicides BAYER AKTIENGESELLSCHAFT (DE) 2010-05-25 US disclosed
US-7723266-B2 Substituted aryl sulphony(thio)ureas used as herbicides BAYER AKTIENGESELLSCHAFT (DE) 2010-05-25 US disclosed
US-7723267-B2 Substituted fluoroalcoxyphenylsulfonylurea BAYER CROPSCIENCE AG (DE) 2010-05-25 US disclosed
US-7723267-B2 Substituted fluoroalcoxyphenylsulfonylurea BAYER CROPSCIENCE AG (DE) 2010-05-25 US disclosed
US-7723267-B2 Substituted fluoroalcoxyphenylsulfonylurea BAYER CROPSCIENCE AG (DE) 2010-05-25 US disclosed
US-20080300138-A1 Dioxazinyl-Substituted Thienylsulphonylaminocarbonyl Compounds GESING ERNST R F 2008-12-04 US disclosed
WO-2003056922-A1 SUBSTITUTED THIAZOLYL SULFONYL UREA COMPOUNDS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2003-07-17 WO disclosed
WO-2002072560-A1 SUBSTITUTED FLUOROALCOXYPHENYLSULFONYLUREA BAYER CROPSCIENCE AG (DE) 2002-09-19 WO disclosed
US-6451737-B1 N-(4,6-DIMETHYL-PYRIMIDIN-2-YL)-N'-(2-METHOXY-6-TRIFLUOROMETHY L-PHENYLSULPHONYL)-UREA BAYER AKTIENGESELLSCHAFT (DE) 2002-09-17 US disclosed
US-6451738-B1 Substituted thienyl(Amino)-sulphonyl(thio)ureas as herbicides BAYER AKTIENGESELLSCHAFT (DE) 2002-09-17 US disclosed
US-20020068681-A1 Substituted thienyl(amino)-sulphonyl(thio)ureas as herbicides GESING ERNST RUDOLF F (DE) 2002-06-06 US disclosed
US-6303541-B1 Substituted thienyl(amino)sulphonyl(thio)ureas as herbicides BAYER AKTIENGESELLSCHAFT (DE) 2001-10-16 US disclosed
EP-0942652-A1 SUBSTITUTED THIENYL(AMINO)SULPHONYL(THIO)UREAS AS HERBICIDES BAYER AG (DE) 1999-09-22 EP disclosed
EP-0885200-A1 SUBSTITUTED ARYL SULPHONYL(THIO)UREAS USED AS HERBICIDES BAYER AG (DE) 1998-12-23 EP disclosed
WO-1998025467-A1 SUBSTITUTED THIENYL(AMINO)SULPHONYL(THIO)UREAS AS HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 1998-06-18 WO disclosed
WO-1997032861-A1 SUBSTITUTED ARYL SULPHONYL(THIO)UREAS USED AS HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 1997-09-12 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 (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-20020068681-A1 Substituted thienyl(amino)-sulphonyl(thio)ureas as herbicides TST, DDT, TMT1A MAPT 3879/4885MAPK1 3202/4885LMNA 4764/4885
US-20080300138-A1 Dioxazinyl-Substituted Thienylsulphonylaminocarbonyl Compounds DDT, DHX35, DHX15 MAPT 4860/4885MAPK1 3512/4885LMNA 3510/4885
US-20100285963-A1 SUBSTITUTED FLUOROALKOXYPHENYLSULFONYLUREAS PFAS, CBR3, CBR1 MAPT 4573/4885MAPK1 2047/4885LMNA 3204/4885

“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.