SCHEMBL4114063

SCHEMBL4114063

O=C(ONNC1CCCC1)C(F)(F)F

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 1/20 0.36
PDK2 Q15119 1/20 0.36
PDK3 Q15120 1/20 0.36
PDK4 Q16654 1/20 0.36
EPHX2 P34913 3/20 0.35
EPHX1 P07099 7/20 0.34
ALDH1A1 P00352 5/20 0.34
NPC1 O15118 3/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
RAB9A P51151 3/20 0.34
MAPT P10636 2/20 0.34
KDM4E B2RXH2 1/20 0.34
CYP3A4 P08684 1/20 0.34
GAA P10253 2/20 0.32
HTT P42858 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 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
SCHEMBL1787822 0.78 EPHX1 (0.41) PDK1PDK2PDK3PDK4EPHX2
SCHEMBL27746258 0.78 EPHX1 (0.41) PDK1PDK2PDK3PDK4EPHX2
SCHEMBL28626663 0.76 EPHX1 (0.34) PDK1PDK2PDK3PDK4EPHX2
SCHEMBL11636690 0.75 EPHX1 (0.44) EPHX2EPHX1ALDH1A1NPC1SMN1; SMN2
SCHEMBL4855748 0.74
SCHEMBL8512564 0.73 CA2 (0.36) ALDH1A1SMN1; SMN2
SCHEMBL4959801 0.72 HDAC6 (0.43) EPHX1ALDH1A1KDM4E
SCHEMBL27716512 0.71 PKM (0.36)
SCHEMBL4858067 0.71 GAA (0.32) GAA
SCHEMBL5091808 0.69 HDAC6 (0.38) EPHX1ALDH1A1KDM4E

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-20090124607-A1 Novel Bicyclic Sulfonamides for Use as Glucocorticoid Receptor Modulators in the Treatment of Inflammatory Diseases ASTRAZENECA AB (SE) 2009-05-14 US disclosed
EP-1940800-A1 NOVEL BICYCLIC SULFONAMIDES FOR USE AS GLUCOCORTICOID RECEPTOR MODULATORS IN THE TREATMENT OF INFLAMMATORY DISEASES Astra Zeneca AB (SE) 2008-07-09 EP disclosed
WO-2007046747-A1 NOVEL BICYCLIC SULFONAMIDES FOR USE AS GLUCOCORTICOID RECEPTOR MODULATORS IN THE TREATMENT OF INFLAMMATORY DISEASES ASTRAZENECA AB (SE) 2007-04-26 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-20090124607-A1 Novel Bicyclic Sulfonamides for Use as Glucocorticoid Receptor Modulators in the Treatment of Inflammatory Diseases NR3C1, NR3C2, MC2R PDK1 2004/4885PDK2 2413/4885PDK3 2252/4885

“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.