SCHEMBL22955348

SCHEMBL22955348

COc1cc(OC)nc(Sc2cccc(Cl)c2C(=O)O/N=C(\C)c2ccc(F)cc2)n1

nearest known ligand 0.59

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
CYP1A2 P05177 1/20 0.43
RAB9A P51151 1/20 0.42

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
SCHEMBL22954807 0.91 NPC1 (0.37) RAB9A
SCHEMBL29638152 0.91 NPC1 (0.37) RAB9A
SCHEMBL22954803 0.91 CYP1A2 (0.41) CYP1A2
SCHEMBL23665983 0.91 MAPT (0.45)
SCHEMBL22955380 0.90 MAPT (0.41)
SCHEMBL22955378 0.87 MAPT (0.42) RAB9A
SCHEMBL29638148 0.86 NPC1 (0.43) CYP1A2RAB9A
SCHEMBL22955321 0.86 NPC1 (0.43) CYP1A2RAB9A
SCHEMBL23666469 0.86 LMNA (0.33)
SCHEMBL22954859 0.86 CYP1A2 (0.39) CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11834420-B2 Preparation method of pyrimidinylthio-benzoate oxime ester compound and application thereof as herbicide Changzhou University (CN) 2023-12-05 US claimed
CN-110317177-B Preparation method of pyrimidine salicylic acid oxime ester compound and application of pyrimidine salicylic acid oxime ester compound as herbicide 常州大学 2022-05-17 CN claimed
US-20210221773-A1 Preparation Method of Pyrimidinylthio-benzoate Oxime Ester Compound and Application thereof as Herbicide Changzhou University (CN) 2021-07-22 US claimed
US-11834420-B2 Preparation method of pyrimidinylthio-benzoate oxime ester compound and application thereof as herbicide Changzhou University (CN) 2023-12-05 US disclosed
US-11834420-B2 Preparation method of pyrimidinylthio-benzoate oxime ester compound and application thereof as herbicide Changzhou University (CN) 2023-12-05 US disclosed
CN-110317177-B Preparation method of pyrimidine salicylic acid oxime ester compound and application of pyrimidine salicylic acid oxime ester compound as herbicide 常州大学 2022-05-17 CN disclosed
US-20210221773-A1 Preparation Method of Pyrimidinylthio-benzoate Oxime Ester Compound and Application thereof as Herbicide Changzhou University (CN) 2021-07-22 US disclosed
US-20210221773-A1 Preparation Method of Pyrimidinylthio-benzoate Oxime Ester Compound and Application thereof as Herbicide Changzhou University (CN) 2021-07-22 US disclosed
WO-2021017597-A1 METHOD FOR PREPARING PYRIMIDINE SALICYLIC ACID OXIME ESTER COMPOUND AND USE THEREOF AS HERBICIDE 常州大学 2021-02-04 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 (2 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-11834420-B2 Preparation method of pyrimidinylthio-benzoate oxime ester compound and application thereof as herbicide ADH1C, ADH1A, AQP4 CA12 3153/4885CA1 1577/4885CA2 712/4885
US-20210221773-A1 Preparation Method of Pyrimidinylthio-benzoate Oxime Ester Compound and Application thereof as Herbicide ADH1C, ADH1A, AQP4 CA12 3104/4885CA1 1622/4885CA2 707/4885

“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.