SCHEMBL5567309

SCHEMBL5567309

OCc1ccc(OCCN2CCOCC2)c(F)c1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.55
KDM4E B2RXH2 3/20 0.54
TSHR P16473 1/20 0.50
KDR P35968 1/20 0.49
ALDH1A1 P00352 2/20 0.48
MAPT P10636 1/20 0.48
HTT P42858 1/20 0.48
DRD1 P21728 1/20 0.48
DRD4 P21917 1/20 0.48
DRD5 P21918 1/20 0.48
HRH3 Q9Y5N1 4/20 0.47
POLB P06746 2/20 0.47
HTR1A P08908 1/20 0.46
DRD2 P14416 1/20 0.46
HTR2A P28223 1/20 0.46

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
SCHEMBL8428009 0.87 LTA4H (0.55) LTA4HKDM4ETSHRKDRALDH1A1
SCHEMBL14393407 0.85 LTA4H (0.53) LTA4HKDM4ETSHRKDRALDH1A1
SCHEMBL8245742 0.84 LTA4H (0.52) LTA4HKDM4ETSHRKDRALDH1A1
SCHEMBL13803105 0.83 SYK (0.55) LTA4HKDM4ETSHRHTTPOLB
SCHEMBL13855801 0.81 POLB (0.59) KDM4ETSHRKDRALDH1A1POLB
SCHEMBL2718979 0.81 KDM4E (0.57) LTA4HKDM4ETSHRKDRALDH1A1
SCHEMBL2671540 0.81 ALDH1A1 (0.62) LTA4HKDM4ETSHRKDRALDH1A1
SCHEMBL13849557 0.81 KDM4E (0.64) LTA4HKDM4ETSHRALDH1A1HTT
SCHEMBL18707215 0.80 KDR (0.55) KDM4ETSHRKDRALDH1A1MAPT
SCHEMBL20575879 0.79 KDR (0.54) KDM4ETSHRKDRALDH1A1MAPT

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-7253158-B2 Sulfonamides HOFFMANN-LA ROCHE INC. (US) 2007-08-07 US disclosed
EP-1768960-A1 SULFONAMIDE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2007-04-04 EP disclosed
US-20060014945-A1 N-((hetero)aryl)-N-(2-oxo-azepan-3-yl)-benzenesulfonamides; useful treating AD or common cancers by blocking the activity of gamma-secretase and reducing/preventing the formation of amyloidogenic Abeta peptides and by blocking the Notch signaling pathways that can interfere with cancer pathogenesis. F. HOFFMANN-LA ROCHE AG (CH) 2006-01-19 US disclosed
WO-2006005486-A1 SULFONAMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2006-01-19 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-20060014945-A1 N-((hetero)aryl)-N-(2-oxo-azepan-3-yl)-benzenesulfonamides; useful treating AD or common cancers by blocking the activity of gamma-secretase and reducing/preventing the formation of amyloidogenic Abeta peptides and by blocking the Notch signaling pathways that can interfere with cancer pathogenesis. BACE1, APP, BACE2 LTA4H 1770/4885KDM4E 1793/4885TSHR 1509/4885

“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.