SCHEMBL3600638

SCHEMBL3600638

COc1nc(NC(=O)NS(=O)(=O)c2c(C)cccc2OC)nc(OC)n1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.45
KMT2A Q03164 2/20 0.40
ATM Q13315 1/20 0.39
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 2/20 0.39
NPC1 O15118 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
MAPT P10636 2/20 0.37
HSD17B10 Q99714 1/20 0.37
MEN1 O00255 1/20 0.37
USP2 O75604 1/20 0.37

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
SCHEMBL13369566 0.83 GAA (0.39) GAAKMT2AALDH1A1KDM4ENPC1
SCHEMBL3292786 0.83 GAA (0.39) GAAKMT2AALDH1A1KDM4ENPC1
SCHEMBL3292086 0.82 GAA (0.41) GAAKMT2AALDH1A1KDM4ENPC1
SCHEMBL3292077 0.82 GAA (0.39) GAAKMT2AALDH1A1KDM4ENPC1
SCHEMBL694106 0.81 GAA (0.41) GAAKMT2AALDH1A1KDM4ENPC1
SCHEMBL11374847 0.81 GAA (0.44) GAAALDH1A1KDM4ENPC1SMN1; SMN2
SCHEMBL11158747 0.81 CASP1 (0.47) GAAALDH1A1KDM4ENPC1MAPT
SCHEMBL13078771 0.80 GAA (0.38) GAAKMT2AALDH1A1KDM4ENPC1
SCHEMBL13328680 0.80 GAA (0.37) GAAKMT2AALDH1A1KDM4ENPC1
SCHEMBL10568525 0.80 GAA (0.43) GAAKMT2AALDH1A1KDM4ENPC1

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 3660/4885KMT2A 2029/4885ATM 2611/4885
US-20050004123-A1 Substituted aryl sulphonyl(thio)ureas used as herbicides DDT, CBR3, TST GAA 3670/4885KMT2A 1518/4885ATM 1963/4885

“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.