SCHEMBL25306752

SCHEMBL25306752

O=C(O)C(F)(F)c1cccc(F)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGK1 P00558 1/20 0.40
PGK2 P07205 1/20 0.40
P2RX7 Q99572 1/20 0.38
TAS2R14 Q9NYV8 1/20 0.36
KDM4E B2RXH2 2/20 0.34
TSHR P16473 2/20 0.34
ALOX15 P16050 1/20 0.34
ACMSD Q8TDX5 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
LMNA P02545 1/20 0.33
CES2 O00748 1/20 0.32
CES1 P23141 1/20 0.32
KAT6A Q92794 1/20 0.32
HPGD P15428 1/20 0.32
PTGS1 P23219 1/20 0.32
PTGS2 P35354 1/20 0.32
IDH2 P48735 1/20 0.32
CYP3A4 P08684 1/20 0.31
AHR P35869 1/20 0.31
KCNK3 O14649 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
SCHEMBL24917757 0.82 P2RX7 (0.50) PGK1PGK2P2RX7TAS2R14KDM4E
SCHEMBL30528019 0.82 P2RX7 (0.50) PGK1PGK2P2RX7TAS2R14KDM4E
SCHEMBL1759639 0.79 PGK1 (0.39) PGK1PGK2P2RX7TAS2R14KDM4E
SCHEMBL30527948 0.79 PGK1 (0.39) PGK1PGK2P2RX7TAS2R14KDM4E
SCHEMBL11395905 0.79 TSHR (0.57) PGK1PGK2P2RX7TAS2R14KDM4E
SCHEMBL24917508 0.75 PGK1 (0.36) PGK1PGK2P2RX7TAS2R14KDM4E
SCHEMBL24917504 0.75 P2RX7 (0.37) PGK1PGK2P2RX7TAS2R14KDM4E
SCHEMBL25305047 0.75 CTSS (0.41) PGK1PGK2P2RX7CES1AHR
SCHEMBL415739 0.74 P2RX7 (0.44) PGK1PGK2P2RX7TAS2R14IDH2
SCHEMBL29463867 0.74 P2RX7 (0.44) PGK1PGK2P2RX7TAS2R14IDH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118647270-A Novel derivatives of non-coding amino acids and their use as herbicides 福提费斯特有限公司 2024-09-13 CN claimed
WO-2023131951-A1 NOVEL DERIVATIVES OF NON-CODED AMINO ACIDS AND THEIR USE AS HERBICIDES FORTEPHEST LTD. (IL) 2023-07-13 WO claimed
CN-118647270-A Novel derivatives of non-coding amino acids and their use as herbicides 福提费斯特有限公司 2024-09-13 CN disclosed
US-20240284907-A1 NOVEL DERIVATIVES OF NON-CODED AMINO ACIDS AND THEIR USE AS HERBICIDES FORTEPHEST LTD. (IL) 2024-08-29 US disclosed
WO-2023131951-A1 NOVEL DERIVATIVES OF NON-CODED AMINO ACIDS AND THEIR USE AS HERBICIDES FORTEPHEST LTD. (IL) 2023-07-13 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-20240284907-A1 NOVEL DERIVATIVES OF NON-CODED AMINO ACIDS AND THEIR USE AS HERBICIDES DDT, DDC, GLUL PGK1 1498/4885PGK2 1211/4885P2RX7 3078/4885

“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.