SCHEMBL24985102

SCHEMBL24985102

COC(=O)c1nc(-c2ccc(OC(F)(F)F)cc2F)c(F)cc1Cl

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FFAR4 Q5NUL3 3/20 0.45
▸ PTGES O14684 1/20 0.42
▸ PDE2A O00408 2/20 0.39
▸ P2RX7 Q99572 2/20 0.37
▸ KIT P10721 1/20 0.37
▸ CRHR1 P34998 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ KCNH2 Q12809 1/20 0.37
▸ CACNA1C Q13936 1/20 0.37
▸ SCN5A Q14524 1/20 0.37
▸ ABL1 P00519 1/20 0.37
▸ DYRK1A Q13627 1/20 0.37
▸ RIPK1 Q13546 1/20 0.37
▸ PRKAB2 O43741 2/20 0.36
▸ PRKAG1 P54619 2/20 0.36
▸ PRKAA2 P54646 2/20 0.36
▸ PRKAA1 Q13131 2/20 0.36
▸ PRKAG3 Q9UGI9 2/20 0.36
▸ PRKAG2 Q9UGJ0 2/20 0.36
▸ PRKAB1 Q9Y478 2/20 0.36

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
SCHEMBL30185210 1.00 FFAR4 (0.45) FFAR4PTGESPDE2AP2RX7KIT
SCHEMBL24984427 0.93 FFAR4 (0.40) FFAR4PTGESPDE2AP2RX7KIT
SCHEMBL30185193 0.93 FFAR4 (0.40) FFAR4PTGESPDE2AP2RX7KIT
SCHEMBL30185245 0.91 CRHR1 (0.47) FFAR4P2RX7CRHR1KCNH2ABL1
SCHEMBL24986581 0.91 CRHR1 (0.47) FFAR4P2RX7CRHR1KCNH2ABL1
SCHEMBL24984519 0.88 PTGES (0.42) PTGESP2RX7KITCRHR1PRKAB2
SCHEMBL30185102 0.88 PTGES (0.42) PTGESP2RX7KITCRHR1PRKAB2
SCHEMBL24985614 0.86 SCN10A (0.46) ABL1L3MBTL1
SCHEMBL30185200 0.86 SCN10A (0.46) ABL1L3MBTL1
SCHEMBL24984549 0.85 CTSA (0.47) CYP3A4

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 FFAR4 1817/4885PTGES 1890/4885PDE2A 2216/4885

“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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