SCHEMBL22345271

SCHEMBL22345271

CC(=O)N(CCOS(C)(=O)=O)CC(=O)OC(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.37
USP2 O75604 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
MMP9 P14780 1/20 0.37
ALOX15 P16050 1/20 0.37
TSHR P16473 1/20 0.37
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA7 P43166 1/20 0.32
CA14 Q9ULX7 1/20 0.32
FGF1 P05230 1/20 0.31
NR1D1 P20393 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
SCHEMBL22345342 0.80 CA12 (0.36) KDM4EUSP2ALDH1A1LMNAMMP9
SCHEMBL22345272 0.80 CHRM5 (0.36) ALDH1A1TSHR
SCHEMBL3174927 0.79 CA14 (0.42) KDM4EUSP2ALDH1A1LMNAMMP9
SCHEMBL28628057 0.79 KDM4E (0.39) KDM4EUSP2ALDH1A1LMNAMMP9
SCHEMBL15143768 0.78 HDAC6 (0.34) NR1D1
SCHEMBL22345297 0.77 SSTR4 (0.35) CA12CA1CA7CA14NR1D1
SCHEMBL20087401 0.77 CA12 (0.40) ALDH1A1TSHRCA12CA1CA7
SCHEMBL31583919 0.77 CA14 (0.44) KDM4EUSP2ALDH1A1LMNAMMP9
SCHEMBL8542598 0.75 L3MBTL1 (0.41) ALDH1A1LMNACA12CA1CA7
SCHEMBL23769963 0.74 CA14 (0.38) KDM4EUSP2ALDH1A1LMNAMMP9

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-20220104492-A1 PYRIDAZINIUM COMPOUNDS FOR USE IN A METHOD OF CONTROLLING UNWANTED PLANT GROWTH SYNGENTA CROP PROTECTION AG (CH) 2022-04-07 US disclosed
EP-3924347-A1 PYRIDAZINIUM COMPOUNDS FOR USE IN A METHOD OF CONTROLLING UNWANTED PLANT GROWTH Syngenta Crop Protection AG (CH) 2021-12-22 EP disclosed
WO-2020164973-A1 PYRIDAZINIUM COMPOUNDS FOR USE IN A METHOD OF CONTROLLING UNWANTED PLANT GROWTH SYNGENTA CROP PROTECTION AG (CH) 2020-08-20 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-20220104492-A1 PYRIDAZINIUM COMPOUNDS FOR USE IN A METHOD OF CONTROLLING UNWANTED PLANT GROWTH DDT, PNPO, PLPBP KDM4E 1228/4885USP2 2069/4885ALDH1A1 846/4885

“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.