SCHEMBL13055879

SCHEMBL13055879

Cn1nc(C(F)(F)F)c(CS(=O)(=O)C2=NOC(C)(C)C2)c1C(F)(F)F

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.33
MEN1 O00255 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
KMT2A Q03164 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30

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
SCHEMBL29169585 0.88 GAA (0.33) GAAMEN1CYP1A2CYP2C9CYP2C19
SCHEMBL14364493 0.88 ALDH1A1 (0.34) GAAMEN1CYP1A2CYP2C9CYP2C19
SCHEMBL14364501 0.87 GAA (0.33) GAA
SCHEMBL28573200 0.87 GAA (0.33) GAAMEN1CYP1A2CYP2C9CYP2C19
SCHEMBL14311482 0.87
SCHEMBL3736237 0.87 ALDH1A1 (0.39) GAAMEN1CYP1A2CYP2C9CYP2C19
SCHEMBL3157387 0.86 ALDH1A1 (0.33) GAACYP2C9CYP2C19ALDH1A1LMNA
SCHEMBL14320065 0.86 GAA (0.32) GAA
SCHEMBL14364512 0.86 GAA (0.32) GAA
SCHEMBL14311724 0.85 GAA (0.32) GAACYP1A2CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100304973-A1 HERBICIDAL COMBINATIONS COMPRISING TEFURYLTRIONE FOR USE IN RICE CROPS BAYER CROPSCIENCE AG (DE) 2010-12-02 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-20100304973-A1 HERBICIDAL COMBINATIONS COMPRISING TEFURYLTRIONE FOR USE IN RICE CROPS DDT, DHFR, HACL2 GAA 183/4885MEN1 4700/4885CYP1A2 340/4885

“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.