SCHEMBL22345342

SCHEMBL22345342

CC(C)(C)OC(=O)CN(CCOS(C)(=O)=O)S(C)(=O)=O

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA7 P43166 1/20 0.36
CA14 Q9ULX7 1/20 0.36
ALDH1A1 P00352 2/20 0.34
KDM4E B2RXH2 1/20 0.34
USP2 O75604 1/20 0.34
LMNA P02545 1/20 0.34
MMP9 P14780 1/20 0.34
ALOX15 P16050 1/20 0.34
TSHR P16473 1/20 0.34
NR1D1 P20393 2/20 0.33
POLB P06746 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL20087392 0.82 CA12 (0.53) CA12CA1CA7CA14NR1D1
SCHEMBL20136933 0.81 CA12 (0.37) CA12CA1CA7CA14NR1D1
SCHEMBL22345271 0.80 KDM4E (0.37) CA12CA1CA7CA14ALDH1A1
SCHEMBL28628306 0.78 LMNA (0.40) ALDH1A1KDM4EUSP2LMNAMMP9
SCHEMBL14280293 0.75 USP2 (0.52) ALDH1A1KDM4EUSP2LMNAMMP9
SCHEMBL17911521 0.74 KDM4E (0.43) CA12CA1CA7CA14ALDH1A1
SCHEMBL3174927 0.73 CA14 (0.42) CA12CA1CA7CA14ALDH1A1
SCHEMBL8543446 0.73 AKT1 (0.43) CA12CA1CA7CA14ALDH1A1
SCHEMBL849912 0.72 KDM4E (0.38) CA12CA1CA7CA14ALDH1A1
SCHEMBL20087394 0.72 AKT1 (0.36) CA12CA1CA7CA14ALDH1A1

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 CA12 4665/4885CA1 4307/4885CA7 2484/4885

“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.