SCHEMBL12469860

SCHEMBL12469860

Cc1cc(Cn2cc(I)c(C(F)(F)C(F)(F)F)n2)ccc1N(C)C(=O)OC(C)(C)C

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 10/20 0.33
GRIA2 P42262 5/20 0.33
KLK1 P06870 2/20 0.33
P2RX3 P56373 1/20 0.33
ABL1 P00519 2/20 0.32
HTR2C P28335 1/20 0.31
SLC6A4 P31645 1/20 0.31
GRM2 Q14416 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
SCHEMBL1830791 0.82 KLKB1 (0.35) KLKB1GRIA2KLK1
SCHEMBL12467931 0.80 PTGDR2 (0.38) KLKB1KLK1
SCHEMBL2810810 0.75 PTGDR2 (0.43) KLKB1KLK1
SCHEMBL1836900 0.74 SKP2 (0.35) KLKB1GRIA2KLK1GRM2
SCHEMBL2161213 0.74 KLKB1 (0.36) KLKB1GRIA2KLK1
SCHEMBL1833832 0.72 KLKB1 (0.35) KLKB1GRIA2KLK1
SCHEMBL22115129 0.69 ABL1 (0.38) ABL1
SCHEMBL23093089 0.68 SKP2 (0.42)
SCHEMBL2161475 0.66 KLKB1 (0.39) KLKB1GRIA2KLK1GRM2
SCHEMBL1832743 0.66 LMNA (0.37) KLKB1

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-20110184188-A1 Insecticidal Benzenedicarboxamide Derivative BAYER CROPSCIENCE AG (DE) 2011-07-28 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 (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 KLKB1 4858/4885GRIA2 3485/4885KLK1 4844/4885

“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.