SCHEMBL14366604

SCHEMBL14366604

COc1cc(OC)nc(NC(=O)NS(=O)(=O)c2cccnc2C(C)C(C)F)n1

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.54
CDK1 P06493 1/20 0.48
MAPT P10636 2/20 0.40
TP53 P04637 1/20 0.40
GLA P06280 1/20 0.40
CYP1A2 P05177 1/20 0.40
KDM4E B2RXH2 1/20 0.39
NPC1 O15118 1/20 0.39
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL3679455 0.91 GAA (0.53) GAACDK1MAPTTP53GLA
SCHEMBL8097780 0.88 GAA (0.50) GAACDK1MAPTTP53GLA
SCHEMBL5612024 0.86 GAA (0.53) GAACDK1MAPTTP53GLA
SCHEMBL4665592 0.86 GAA (0.48) GAACDK1MAPTTP53GLA
SCHEMBL30177573 0.86 GAA (0.48) GAACDK1MAPTTP53GLA
SCHEMBL6571681 0.85 GAA (0.48) GAACDK1MAPTTP53GLA
SCHEMBL7456515 0.85 GAA (0.53) GAACDK1MAPTTP53GLA
SCHEMBL15427726 0.84 GAA (0.47) GAACDK1MAPTTP53GLA
SCHEMBL9888415 0.84 GAA (0.47) GAACDK1MAPTTP53GLA
SCHEMBL28422175 0.84 GAA (0.47) GAACDK1MAPTTP53GLA

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-20070275855-A1 Herbicidal Composition ISHIHARA SANGYO KAISHA, LTD. (JP) 2007-11-29 US disclosed
US-20070232492-A1 Herbicidal Composition ISHIHARA SANGYO KAISHA, LTD. (JP) 2007-10-04 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-20070275855-A1 Herbicidal Composition DDT, DPP3, HDHD5 GAA 981/4885CDK1 3909/4885MAPT 2732/4885
US-20070232492-A1 Herbicidal Composition DDT, SPIN2B, CCNB3 GAA 2295/4885CDK1 308/4885MAPT 2467/4885

“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.