SCHEMBL21964006

SCHEMBL21964006

CCNC(=O)c1cc[n+](C[C@H](NC(=O)OC(C)(C)C)C(=O)OC(=O)C(F)(F)F)nc1

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 9/20 0.34
PPARG P37231 8/20 0.34
ALDH1A1 P00352 2/20 0.33
MAPT P10636 2/20 0.33
CTSK P43235 5/20 0.32
CTSS P25774 5/20 0.32
PPARD Q03181 2/20 0.32
CTSL P07711 1/20 0.32
CTSB P07858 1/20 0.32
ITGB3 P05106 1/20 0.32
ITGA2B P08514 1/20 0.32
SYK P43405 1/20 0.32
CAPN1 P07384 1/20 0.32

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
Trifluoroacetic Acid SCHEMBL21964005 0.86 PPARA (0.38) PPARAPPARGCTSKCTSSPPARD
Trifluoroacetic Acid SCHEMBL21964007 0.86 PPARA (0.38) PPARAPPARGCTSKCTSSPPARD
SCHEMBL28623435 0.85 PPARA (0.35) PPARAPPARGALDH1A1MAPTCTSK
SCHEMBL28623441 0.85 PPARA (0.35) PPARAPPARGALDH1A1MAPTCTSK
SCHEMBL28636921 0.76 GABRA5 (0.32)
Trifluoroacetic Acid SCHEMBL21964011 0.72 HDAC4 (0.34) PPARAPPARGITGB3ITGA2B
Trifluoroacetic Acid SCHEMBL21964012 0.69 HDAC4 (0.32) PPARAPPARGITGB3ITGA2B
SCHEMBL24418771 0.68 PPARA (0.42) PPARAPPARGCTSKCTSSPPARD
SCHEMBL28383141 0.68 PPARA (0.42) PPARAPPARGCTSKCTSSPPARD
Trifluoroacetic Acid SCHEMBL28636930 0.67 GABRA5 (0.33) PPARAPPARGITGB3ITGA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210403435-A1 HERBICIDAL COMPOUNDS SYNGENTA CROP PROTECTION AG (CH) 2021-12-30 US disclosed
EP-3879983-A1 HERBICIDAL COMPOUNDS Syngenta Crop Protection AG (CH) 2021-09-22 EP disclosed
CN-113329629-A Herbicidal compounds 先正达农作物保护股份公司 2021-08-31 CN disclosed
WO-2020099367-A1 HERBICIDAL COMPOUNDS SYNGENTA CROP PROTECTION AG (CH) 2020-05-22 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-20210403435-A1 HERBICIDAL COMPOUNDS DDT, CYP4X1, CYP1B1 PPARA 764/4885PPARG 318/4885ALDH1A1 21/4885

“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.