SCHEMBL3034282

SCHEMBL3034282

CC(C)(C(=O)O)C(N)c1ccccc1F

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.45
HIF1A Q16665 2/20 0.43
DPP4 P27487 1/20 0.42
DPP7 Q9UHL4 1/20 0.42
CES2 O00748 1/20 0.42
CES1 P23141 1/20 0.42
KCNN4 O15554 3/20 0.41
CNR2 P34972 1/20 0.41
IDO1 P14902 1/20 0.39
TDO2 P48775 1/20 0.39
CYP2C19 P33261 1/20 0.39
KCNE1 P15382 1/20 0.37
KCNQ1 P51787 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 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
SCHEMBL15105788 0.82 CES2 (0.46) GAAHIF1ADPP4DPP7CES2
SCHEMBL3023788 0.80 PIN1 (0.40) HIF1ACYP2C19CYP1A2
SCHEMBL17439882 0.79 PDE2A (0.41) GAAHIF1ADPP4DPP7CES2
Hydrochloric Acid SCHEMBL28666635 0.78 PDE2A (0.41) GAAHIF1ADPP4DPP7CES2
SCHEMBL8260640 0.77 PDE2A (0.40) GAACES2CES1IDO1TDO2
SCHEMBL6533964 0.76 GAA (0.43) GAADPP4DPP7CES2CES1
SCHEMBL13223004 0.76 GAA (0.43) GAAHIF1ACES2CES1CNR2
Hydrochloric Acid SCHEMBL3024235 0.76 IDO1 (0.42) GAACES2CES1IDO1TDO2
SCHEMBL1667056 0.75 GAA (0.45) GAAHIF1ADPP4DPP7CES2
SCHEMBL17724489 0.75 VNN1 (0.37) GAAHIF1ADPP4DPP7CES2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100216837-A1 GLYCINE TRANSPORT INHIBITORS GLAXO GROUP LIMITED (GB) 2010-08-26 US disclosed
EP-1874721-A2 GLYCINE TRANSPORT INHIBITORS GLAXO GROUP LIMITED (GB) 2008-01-09 EP disclosed
WO-2006067414-A2 GLYCINE TRANSPORT INHIBITORS GLAXO GROUP LIMITED (GB) 2006-06-29 WO disclosed
WO-2006067414-A2 GLYCINE TRANSPORT INHIBITORS GLAXO GROUP LIMITED (GB) 2006-06-29 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-20100216837-A1 GLYCINE TRANSPORT INHIBITORS SLC18A2, SLC6A5, SLC1A2 GAA 133/4885HIF1A 3457/4885DPP4 589/4885

“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.