SCHEMBL4596153

SCHEMBL4596153

O=C(O)C(=Cc1cc(-c2ccc(C(F)(F)F)cc2)ccc1[N+](=O)[O-])C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 2/20 0.41
AKR1B1 P15121 2/20 0.41
AKR1C4 P17516 2/20 0.41
AKR1C3 P42330 2/20 0.41
AKR1C2 P52895 2/20 0.41
AKR1C1 Q04828 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
MEN1 O00255 1/20 0.41
PPOX P50336 1/20 0.41
KMT2A Q03164 1/20 0.41
FBP1 P09467 1/20 0.39
ERN1 O75460 1/20 0.39
MAPT P10636 3/20 0.39
ALDH1A1 P00352 2/20 0.39
TRPV1 Q8NER1 1/20 0.39
EIF4E P06730 1/20 0.38
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
ALOX5 P09917 1/20 0.37
PSEN1 P49768 1/20 0.37

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
SCHEMBL3497524 0.83 TSHR (0.41) MEN1KMT2AERN1MAPTALDH1A1
SCHEMBL4596001 0.81 ERN1 (0.44) TTRTDP1FBP1ERN1MAPT
SCHEMBL4594989 0.75 TTR (0.52) TTRAKR1B1AKR1C4AKR1C3AKR1C2
SCHEMBL3900786 0.74 TDP1 (0.55) TTRTDP1MEN1KMT2AFBP1
SCHEMBL6224986 0.74 AKR1B1 (0.51) TTRAKR1B1AKR1C4AKR1C3AKR1C2
SCHEMBL25027357 0.74 AKR1B1 (0.44) TTRAKR1B1AKR1C4AKR1C3AKR1C2
SCHEMBL10968186 0.74 TSHR (0.50) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL10969566 0.74 TSHR (0.51) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL4596621 0.72 ALDH1A1 (0.44) TTRAKR1B1AKR1C4AKR1C3AKR1C2
SCHEMBL4898796 0.72 TTR (0.43) TTRAKR1B1AKR1C4AKR1C3AKR1C2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080176830-A1 Compounds, Compositions, and Methods ADAMS NICHOLAS D 2008-07-24 US disclosed
EP-1874753-A2 COMPOUNDS, COMPOSITIONS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 2008-01-09 EP disclosed
WO-2006113432-A2 COMPOUNDS, COMPOSITIONS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 2006-10-26 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-20080176830-A1 Compounds, Compositions, and Methods ALPP, PCNA, MKI67 TTR 3816/4885AKR1B1 897/4885AKR1C4 1265/4885

“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.