SCHEMBL22345253

SCHEMBL22345253

COC(=O)CNS(=O)(=O)CCCl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 6/20 0.42
CA14 Q9ULX7 5/20 0.42
CA2 P00918 3/20 0.42
GAA P10253 2/20 0.41
KDM4E B2RXH2 1/20 0.41
NPC1 O15118 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TET2 Q6N021 1/20 0.36
TSHR P16473 4/20 0.36
MMP8 P22894 3/20 0.36
MMP12 P39900 3/20 0.36
MMP13 P45452 3/20 0.36
RECQL P46063 1/20 0.35
HSD17B10 Q99714 2/20 0.33
MGAM O43451 1/20 0.33
SI P14410 1/20 0.33
MGAM2 Q2M2H8 1/20 0.33

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
SCHEMBL32677294 0.89 CA12 (0.40) CA12CA14CA2GAAKDM4E
SCHEMBL21540832 0.80 CA12 (0.42) CA12CA14CA2GAAKDM4E
SCHEMBL15592453 0.79 CA12 (0.47) CA12CA14CA2GAAKDM4E
SCHEMBL7840740 0.74 CA12 (0.52) CA12CA14CA2GAAKDM4E
SCHEMBL19402797 0.73 CA12 (0.50) CA12CA14CA2KDM4EALDH1A1
SCHEMBL8930152 0.72 CA12 (0.48) CA12CA14CA2GAAKDM4E
SCHEMBL2583703 0.72 CA12 (0.48) CA12CA14CA2GAAKDM4E
SCHEMBL22345238 0.71 TSHR (0.41) CA12CA14CA2GAATET2
SCHEMBL22475391 0.70 CA12 (0.47) CA12CA14CA2GAAKDM4E
SCHEMBL4674334 0.70 CA12 (0.47) CA12CA14CA2GAAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220142164-A1 HERBICIDAL COMPOUNDS SYNGENTA CROP PROTECTION AG (CH) 2022-05-12 US disclosed
US-20220112175-A1 PYRIDAZINES HERBICIDAL COMPOUNDS SYNGENTA CROP PROTECTION AG (CH) 2022-04-14 US disclosed
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-3927697-A1 PYRIDAZINES HERBICIDAL COMPOUNDS Syngenta Crop Protection AG (CH) 2021-12-29 EP disclosed
EP-3923728-A1 HERBICIDAL COMPOUNDS Syngenta Crop Protection AG (CH) 2021-12-22 EP 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
CN-113439081-A Pyridazinium compounds for use in methods of controlling unwanted plant growth 先正达农作物保护股份公司 2021-09-24 CN disclosed
CN-113423274-A Herbicidal compounds 先正达农作物保护股份公司 2021-09-21 CN disclosed
CN-113423704-A Pyridazine herbicidal compounds 先正达农作物保护股份公司 2021-09-21 CN 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
WO-2020165321-A1 HERBICIDAL COMPOUNDS SYNGENTA CROP PROTECTION AG (CH) 2020-08-20 WO disclosed
WO-2020165310-A1 PYRIDINIUM COMPOUNDS AND THEIR USE AS HERBICIDES 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 (3 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-20220142164-A1 HERBICIDAL COMPOUNDS DDT, ACHE, GSTO1 CA12 2083/4885CA14 1962/4885CA2 257/4885
US-20220112175-A1 PYRIDAZINES HERBICIDAL COMPOUNDS DDT, PLPBP, CYP4Z1 CA12 4110/4885CA14 4344/4885CA2 1182/4885
US-20220104492-A1 PYRIDAZINIUM COMPOUNDS FOR USE IN A METHOD OF CONTROLLING UNWANTED PLANT GROWTH DDT, PNPO, PLPBP CA12 4665/4885CA14 4574/4885CA2 2002/4885

“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.