SCHEMBL24985591

SCHEMBL24985591

COC(=O)c1nc(-c2ccc(OS(C)(=O)=O)cc2)c(F)cc1Cl

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 5/20 0.37
▸ PKM P14618 3/20 0.37
▸ RCE1 Q9Y256 1/20 0.37
▸ DHODH Q02127 1/20 0.37
▸ ALDH1A1 P00352 4/20 0.37
▸ SMN1; SMN2 Q16637 3/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ CA12 O43570 2/20 0.36
▸ CA2 P00918 2/20 0.36
▸ PTGS2 P35354 1/20 0.36
▸ RAB9A P51151 1/20 0.35
▸ SCN9A Q15858 3/20 0.35
▸ SCN5A Q14524 1/20 0.35
▸ STS P08842 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ USP28 Q96RU2 1/20 0.34
▸ ACLY P53396 1/20 0.34
▸ KAT8 Q9H7Z6 1/20 0.34
▸ BCHE P06276 1/20 0.34
▸ ACHE P22303 1/20 0.34

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
SCHEMBL30185230 1.00 KDM4E (0.37) KDM4EPKMRCE1DHODHALDH1A1
SCHEMBL24986855 0.87 PTGS2 (0.48) KDM4EALDH1A1PTGS2RAB9A
SCHEMBL30185296 0.87 PTGS2 (0.48) KDM4EALDH1A1PTGS2RAB9A
SCHEMBL24987028 0.87 KDM4E (0.46) KDM4EPKMRCE1ALDH1A1SMN1; SMN2
SCHEMBL24985231 0.86 PTGS1 (0.36) KDM4EALDH1A1SMN1; SMN2HSD17B10PTGS2
SCHEMBL30185124 0.84 SMN1; SMN2 (0.46) KDM4EPKMRCE1DHODHALDH1A1
SCHEMBL24985136 0.84 SMN1; SMN2 (0.46) KDM4EPKMRCE1DHODHALDH1A1
SCHEMBL24985134 0.84 SMN1; SMN2 (0.47) KDM4EPKMRCE1DHODHALDH1A1
SCHEMBL24985614 0.83 SCN10A (0.46) DHODHL3MBTL1
SCHEMBL30185200 0.83 SCN10A (0.46) DHODHL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230017045-A1 PYRIDINE AND PYRIMIDINE CARBOXYLATE HERBICIDES AND METHODS OF USE THEREOF DOW AGROSCIENCES LLC (US) 2023-01-19 — — US 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-20230017045-A1 PYRIDINE AND PYRIMIDINE CARBOXYLATE HERBICIDES AND METHODS OF USE THEREOF PDXK, DPYD, DDT KDM4E 1143/4885PKM 1121/4885RCE1 2548/4885

“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.

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