SCHEMBL1759639

SCHEMBL1759639

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGK1 P00558 1/20 0.39
PGK2 P07205 1/20 0.39
HPGD P15428 2/20 0.37
ALDH1A1 P00352 1/20 0.37
P2RX7 Q99572 1/20 0.37
TAS2R14 Q9NYV8 1/20 0.35
KDM4E B2RXH2 2/20 0.33
TSHR P16473 2/20 0.33
ALOX15 P16050 1/20 0.33
ACMSD Q8TDX5 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
GRM5 P41594 1/20 0.33
GABRA1 P14867 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRA3 P34903 1/20 0.33
LMNA P02545 1/20 0.32
CES2 O00748 1/20 0.32
CES1 P23141 1/20 0.31
KAT6A Q92794 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
SCHEMBL30527948 1.00 PGK1 (0.39) PGK1PGK2HPGDALDH1A1P2RX7
SCHEMBL29060236 0.85 PGK1 (0.39) PGK1PGK2HPGDALDH1A1P2RX7
SCHEMBL24917757 0.81 P2RX7 (0.50) PGK1PGK2HPGDP2RX7TAS2R14
SCHEMBL30528019 0.81 P2RX7 (0.50) PGK1PGK2HPGDP2RX7TAS2R14
SCHEMBL11400082 0.81 PGK1 (0.36) PGK1PGK2HPGDALDH1A1P2RX7
SCHEMBL31032296 0.80 P2RX7 (0.36) PGK1PGK2HPGDALDH1A1P2RX7
SCHEMBL25306752 0.79 PGK1 (0.40) PGK1PGK2HPGDP2RX7TAS2R14
SCHEMBL11395905 0.78 TSHR (0.57) PGK1PGK2HPGDALDH1A1P2RX7
SCHEMBL3509089 0.78 ALDH1A1 (0.37) PGK1PGK2HPGDALDH1A1KDM4E
SCHEMBL27352830 0.77 ALDH1A1 (0.38) PGK1PGK2HPGDALDH1A1P2RX7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023131951-A1 NOVEL DERIVATIVES OF NON-CODED AMINO ACIDS AND THEIR USE AS HERBICIDES FORTEPHEST LTD. (IL) 2023-07-13 WO claimed
WO-2023131951-A1 NOVEL DERIVATIVES OF NON-CODED AMINO ACIDS AND THEIR USE AS HERBICIDES FORTEPHEST LTD. (IL) 2023-07-13 WO disclosed
EP-2499121-B1 OXAZOLINE DERIVATIVES FOR TREATMENT OF CNS DISORDERS. HOFFMANN LA ROCHE (CH) 2015-10-07 EP disclosed
US-8354441-B2 Oxazoline derivatives HOFFMANN-LA ROCHE INC. (US) 2013-01-15 US disclosed
EP-2499121-A1 OXAZOLINE DERIVATIVES FOR TREATMENT OF CNS DISORDERS. F. Hoffmann-La Roche AG (CH) 2012-09-19 EP disclosed
WO-2011057973-A1 OXAZOLINE DERIVATIVES FOR TREATMENT OF CNS DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2011-05-19 WO disclosed
US-20110112080-A1 OXAZOLINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2011-05-12 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-20110112080-A1 OXAZOLINE DERIVATIVES TAAR1, HCRTR1, NPY1R PGK1 2008/4885PGK2 2999/4885HPGD 3891/4885

“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.