SCHEMBL6369166

SCHEMBL6369166

COc1cc(OC)nc(NC(=O)NS(=O)(=O)C2=CC(Cl)(C(=O)O)NN2C)n1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.49
CDK1 P06493 1/20 0.42
CYP1A2 P05177 1/20 0.40
MAPT P10636 2/20 0.38
TP53 P04637 1/20 0.38
GLA P06280 1/20 0.38
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
HTT P42858 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TSHR P16473 2/20 0.32

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
SCHEMBL2461198 0.92 GAA (0.49) GAACDK1CYP1A2MAPTTP53
SCHEMBL7800046 0.71 GAA (0.61) GAACDK1CYP1A2MAPTTP53
SCHEMBL10670178 0.70 GAA (0.77) GAACDK1CYP1A2MAPTTP53
SCHEMBL10762924 0.70 GAA (0.55) GAACDK1CYP1A2MAPTTP53
Halosulfuron SCHEMBL66216 0.69 GAA (0.52) GAACDK1CYP1A2MAPTTP53
SCHEMBL10859355 0.69 GAA (0.63) GAACDK1CYP1A2MAPTTP53
SCHEMBL8676026 0.69 GAA (0.63) GAACDK1CYP1A2MAPTTP53
SCHEMBL9172418 0.69 GAA (0.60) GAACDK1CYP1A2MAPTTP53
SCHEMBL10616134 0.69 GAA (0.67) GAACDK1CYP1A2MAPTTP53
SCHEMBL9201574 0.69 GAA (0.54) GAACDK1CYP1A2MAPTTP53

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-20050282706-A1 Novel esters as useful broad spectrum herbicidal compounds CORET JOEL M 2005-12-22 US claimed
US-20050282708-A1 Novel esters as useful herbicidal compounds CORET JOEL M 2005-12-22 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-20050282708-A1 Novel esters as useful herbicidal compounds NOTUM, DDT, HDHD5 GAA 168/4885CDK1 4020/4885CYP1A2 754/4885
US-20050282706-A1 Novel esters as useful broad spectrum herbicidal compounds NOTUM, DDT, HDHD5 GAA 216/4885CDK1 4162/4885CYP1A2 540/4885

“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.