SCHEMBL1828355

SCHEMBL1828355

CSC[C@H](C)N=C1OC(=O)c2cccc(F)c21

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA7 P43166 1/20 0.32
CA9 Q16790 1/20 0.32
CHRM5 P08912 1/20 0.31
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
SCHEMBL551590 1.00 CA1 (0.32) CA1CA2CA7CA9CHRM5
SCHEMBL551589 1.00 CA1 (0.32) CA1CA2CA7CA9CHRM5
SCHEMBL2161250 1.00 CA1 (0.32) CA1CA2CA7CA9CHRM5
SCHEMBL2161717 1.00 CA1 (0.32) CA1CA2CA7CA9CHRM5
SCHEMBL551591 1.00 CA1 (0.32) CA1CA2CA7CA9CHRM5
SCHEMBL2161147 0.85 CA1 (0.33) CA1CA2CA7CA9TYMS
SCHEMBL14534477 0.85 CA1 (0.33) CA1CA2CA7CA9TYMS
SCHEMBL2161144 0.85 CA1 (0.33) CA1CA2CA7CA9TYMS
SCHEMBL551423 0.84 CA1 (0.32) CA1CA2CA7CA9TYMS
SCHEMBL550457 0.84 TYMS (0.30) 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 3 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
EP-2318374-A2 INSECTICIDAL BENZENEDICARBOXAMIDE DERIVATIVE Bayer CropScience AG (DE) 2011-05-11 EP disclosed
WO-2010012442-A2 INSECTICIDAL BENZENEDICARBOXAMIDE DERIVATIVE BAYER CROPSCIENCE AG (DE) 2010-02-04 WO 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-20110184188-A1 Insecticidal Benzenedicarboxamide Derivative DDT, BRD9, BCL2A1 CA1 3012/4885CA2 1085/4885CA7 2875/4885

“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.