SCHEMBL3589040

SCHEMBL3589040

CCOc1cccc(C)c1S(=O)(=O)NC(=O)Nc1nc(OC)cc(OC)n1

nearest known ligand 0.69

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.55
MAPT P10636 2/20 0.43
TP53 P04637 1/20 0.43
GLA P06280 1/20 0.43
CDK1 P06493 1/20 0.43
ALDH1A1 P00352 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
HSD17B10 Q99714 1/20 0.42
KDM4E B2RXH2 1/20 0.41
NPC1 O15118 1/20 0.41
CYP1A2 P05177 1/20 0.40

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
SCHEMBL13044795 0.89 GAA (0.55) GAAMAPTTP53GLACDK1
SCHEMBL5703485 0.84 GAA (0.58) GAAMAPTTP53GLACDK1
SCHEMBL6906441 0.83 GAA (0.57) GAAMAPTTP53GLACDK1
SCHEMBL6906447 0.83 GAA (0.60) GAAMAPTTP53GLACDK1
SCHEMBL13369363 0.83 GAA (0.48) GAAMAPTALDH1A1SMN1; SMN2RXFP1
SCHEMBL6313355 0.83 GAA (0.57) GAAMAPTTP53GLACDK1
SCHEMBL11347038 0.82 GAA (0.52) GAAMAPTTP53GLACDK1
Ethoxysulfuron SCHEMBL29386240 0.82 GAA (0.53) GAAMAPTTP53GLARXFP1
Ethoxysulfuron SCHEMBL65311 0.82 GAA (0.53) GAAMAPTTP53GLARXFP1
Ethoxysulfuron SCHEMBL2323273 0.81 GAA (0.52) GAAMAPTTP53GLARXFP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20050004123-A1 Substituted aryl sulphonyl(thio)ureas used as herbicides BAYER AG (DE) 2005-01-06 US disclosed
US-6838414-B2 Substituted aryl sulphonyl(thio)ureas used as herbicides BAYER AKTIENGESELLSCHAFT (DE) 2005-01-04 US disclosed
US-20030153463-A1 Substituted aryl sulphonyl(thio)ureas GESING ERNST RUDOLF F (DE) 2003-08-14 US 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

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-20030153463-A1 Substituted aryl sulphonyl(thio)ureas TST, DDT, CBR3 GAA 3660/4885MAPT 4329/4885TP53 2774/4885
US-20050004123-A1 Substituted aryl sulphonyl(thio)ureas used as herbicides DDT, CBR3, TST GAA 3670/4885MAPT 4114/4885TP53 2361/4885

“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.