SCHEMBL3514864

SCHEMBL3514864

COCCOC(=O)c1ccc(F)cc1[N+](=O)[O-]

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.49
ALDH1A1 P00352 3/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
GLA P06280 2/20 0.45
KDM4E B2RXH2 1/20 0.45
TP53 P04637 1/20 0.45
GAA P10253 1/20 0.45
HPGD P15428 1/20 0.45
CASP1 P29466 1/20 0.45
CASP7 P55210 1/20 0.45
HSD17B10 Q99714 1/20 0.45
LGALS3 P17931 1/20 0.44
LGALS4 P56470 1/20 0.44
MAPT P10636 3/20 0.44
KCNMA1 Q12791 1/20 0.41
RAB9A P51151 2/20 0.41
PTGER4 P35408 1/20 0.41
ATM Q13315 1/20 0.41
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL3497543 0.85 MAPT (0.41) ALDH1A1HPGDLGALS3LGALS4MAPT
SCHEMBL31391703 0.85 MAPT (0.55) TSHRALDH1A1MEN1KMT2AKDM4E
SCHEMBL3092769 0.85 MAPT (0.55) TSHRALDH1A1MEN1KMT2AKDM4E
SCHEMBL539834 0.83 TDP1 (0.47) ALDH1A1MEN1KMT2AGAALGALS3
SCHEMBL3512410 0.83 TSHR (0.48) TSHRALDH1A1MEN1KMT2AKDM4E
SCHEMBL29024711 0.81 KDM4E (0.45) ALDH1A1KDM4EGAAHSD17B10LGALS3
SCHEMBL15525613 0.80 TSHR (0.68) TSHRALDH1A1MEN1KMT2AGLA
SCHEMBL8788538 0.78 CYP3A4 (0.49) TSHRALDH1A1KMT2AHSD17B10LGALS3
SCHEMBL28999453 0.77 ALDH1A1 (0.49) TSHRALDH1A1KMT2AKDM4EGAA
SCHEMBL8991985 0.77 ALDH1A1 (0.50) ALDH1A1KMT2AGLAHPGDMAPT

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-20100305207-A1 GLYCOGEN PHOSPHORYLASE INHIBITOR COMPOUND AND PHARMACEUTICAL COMPOSITION THEREOF GLAXOSMITHKLINE LLC 2010-12-02 US disclosed
EP-2195287-A1 GLYCOGEN PHOSPHORYLASE INHIBITOR COMPOUND AND PHARMACEUTICAL COMPOSITION THEREOF GlaxoSmithKline LLC (US) 2010-06-16 EP disclosed
WO-2009045830-A1 GLYCOGEN PHOSPHORYLASE INHIBITOR COMPOUND AND PHARMACEUTICAL COMPOSITION THEREOF SMITHKLINE BEECHAM CORPORATION (US) 2009-04-09 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-20100305207-A1 GLYCOGEN PHOSPHORYLASE INHIBITOR COMPOUND AND PHARMACEUTICAL COMPOSITION THEREOF PYGM, PYGL, G6PC1 TSHR 4714/4885ALDH1A1 3219/4885MEN1 2624/4885

“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.