SCHEMBL6906441

SCHEMBL6906441

CCOc1ccccc1S(=O)(=O)NC(=O)Nc1nc(OC)cc(OC)n1.[NaH]

nearest known ligand 0.72

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.57
ALDH1A1 P00352 2/20 0.52
KDM4E B2RXH2 1/20 0.52
NPC1 O15118 1/20 0.52
MAPT P10636 2/20 0.50
CDK1 P06493 1/20 0.48
TP53 P04637 1/20 0.47
GLA P06280 1/20 0.47
RXFP1 Q9HBX9 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.43
MEN1 O00255 1/20 0.43
PABPC1 P11940 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL5703485 0.99 GAA (0.58) GAAALDH1A1KDM4ENPC1MAPT
SCHEMBL6906447 0.98 GAA (0.60) GAAALDH1A1KDM4ENPC1MAPT
SCHEMBL10455437 0.93 ALDH1A1 (0.54) GAAALDH1A1KDM4ENPC1MAPT
SCHEMBL10455589 0.91 GAA (0.53) GAAALDH1A1KDM4ENPC1MAPT
SCHEMBL11190999 0.88 GAA (0.56) GAAALDH1A1KDM4ENPC1MAPT
SCHEMBL10761368 0.88 GAA (0.56) GAAALDH1A1KDM4ENPC1MAPT
SCHEMBL10728126 0.87 GAA (0.55) GAAALDH1A1KDM4ENPC1MAPT
SCHEMBL10968869 0.86 GAA (0.54) GAAALDH1A1KDM4ENPC1MAPT
SCHEMBL10616134 0.86 GAA (0.67) GAAALDH1A1KDM4ENPC1MAPT
SCHEMBL11160142 0.85 GAA (0.53) GAAALDH1A1KDM4ENPC1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6743754-B2 A SULFONYLUREA AND ONE OR MORE SURFACTANTS COMPRISING AS STRUCTURAL ELEMENT AT LEAST 10 ALKYLENE OXIDE UNITS. AVENTIS CROPSCIENCE GMBH (DE) 2004-06-01 US disclosed
US-20020091066-A1 Herbicidal compositions BAYER CROPSCIENCE GMBH (DE) 2002-07-11 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 (1 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-20020091066-A1 Herbicidal compositions CBR1, CBR3, GLRA1 GAA 1644/4885ALDH1A1 323/4885KDM4E 3026/4885

“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.