SCHEMBL4196507

SCHEMBL4196507

CSC[C@H](C)/N=C1\OC(=O)c2cccc(I)c21

nearest known ligand 0.30

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TYMS P04818 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
SCHEMBL2161217 1.00 TYMS (0.30) TYMS
SCHEMBL550457 1.00 TYMS (0.30) TYMS
SCHEMBL1186741 1.00 TYMS (0.30) TYMS
SCHEMBL2161325 1.00 TYMS (0.30) TYMS
SCHEMBL550455 1.00 TYMS (0.30) TYMS
SCHEMBL550456 1.00 TYMS (0.30) TYMS
SCHEMBL2161144 0.85 CA1 (0.33) TYMS
SCHEMBL2161147 0.85 CA1 (0.33) TYMS
SCHEMBL14534477 0.85 CA1 (0.33) TYMS
SCHEMBL551589 0.84 CA1 (0.32) TYMS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110184188-A1 Insecticidal Benzenedicarboxamide Derivative BAYER CROPSCIENCE AG (DE) 2011-07-28 US disclosed
US-20110184188-A1 Insecticidal Benzenedicarboxamide Derivative BAYER CROPSCIENCE AG (DE) 2011-07-28 US disclosed
US-7884242-B2 N1-(6-{[3,5-bis(trifluoromethyl)-1H-pyrazol-1-yl]methyl}-2-methylpyridin-3-yl)-3-chloro-N2-[(1S)-1-methyl-2-(methylthio)ethyl]phthalamide; pesticide; nematocide BAYER CROPSCIENCE AG (DE) 2011-02-08 US disclosed
US-7884242-B2 N1-(6-{[3,5-bis(trifluoromethyl)-1H-pyrazol-1-yl]methyl}-2-methylpyridin-3-yl)-3-chloro-N2-[(1S)-1-methyl-2-(methylthio)ethyl]phthalamide; pesticide; nematocide BAYER CROPSCIENCE AG (DE) 2011-02-08 US disclosed
US-20090118375-A1 Optically active phthalamides BAYER CROPSCIENCE AG (DE) 2009-05-07 US disclosed
US-20090023752-A1 N-Heterocyclylphthaldiamides as Insecticides BAYER CROPSCIENCE AG (DE) 2009-01-22 US disclosed
US-20090023752-A1 N-Heterocyclylphthaldiamides as Insecticides BAYER CROPSCIENCE AG (DE) 2009-01-22 US disclosed
US-20080051457-A1 Optically Active Phthalamide Derivative, Agricultural or Horticultural Insecticide, and Method of Using the Same NAKAO HAYAMI 2008-02-28 US disclosed
US-20080051457-A1 Optically Active Phthalamide Derivative, Agricultural or Horticultural Insecticide, and Method of Using the Same NAKAO HAYAMI 2008-02-28 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 (4 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-20090118375-A1 Optically active phthalamides CRYZ, CRY1, CRY2 TYMS 4732/4885
US-20110184188-A1 Insecticidal Benzenedicarboxamide Derivative DDT, BRD9, BCL2A1 TYMS 4155/4885
US-20090023752-A1 N-Heterocyclylphthaldiamides as Insecticides DDT, NQO2, NIT2 TYMS 2684/4885
US-20080051457-A1 Optically Active Phthalamide Derivative, Agricultural or Horticultural Insecticide, and Method of Using the Same CRY1, CNPY2, H1-0 TYMS 4840/4885

“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.