SCHEMBL5050508

SCHEMBL5050508

C=CCOc1ccc(COCCn2ccnn2)c(F)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.39
HTR2A P28223 1/20 0.33
FGFR1 P11362 5/20 0.32
FLT1 P17948 4/20 0.32
FGFR2 P21802 4/20 0.32
FGFR4 P22455 4/20 0.32
FGFR3 P22607 4/20 0.32
FLT4 P35916 4/20 0.32
KDR P35968 4/20 0.32
EGFR P00533 1/20 0.32
PDGFRB P09619 1/20 0.32
KAT6A Q92794 1/20 0.31
MEN1 O00255 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
ATP4A P20648 1/20 0.31
ATP4B P51164 1/20 0.31
MAOA P21397 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
SCHEMBL5049275 0.87 GAA (0.37) FGFR1MEN1LMNAMAPTKMT2A
SCHEMBL4592008 0.82 ALDH1A1 (0.38) EGFRLMNAMAPTSMN1; SMN2ATP4A
SCHEMBL5046467 0.79 DPP4 (0.42) DPP4FGFR1FLT1FGFR2FGFR4
SCHEMBL5046644 0.71 ERBB2 (0.36) ATP4AATP4B
SCHEMBL5046147 0.71 ERBB2 (0.56) MAPT
SCHEMBL5046647 0.71 ERBB2 (0.36) ATP4AATP4B
SCHEMBL5046142 0.71 ERBB2 (0.56) MAPT
SCHEMBL4607300 0.71 MAOA (0.34) FGFR1MEN1LMNAMAPTKMT2A
SCHEMBL4606288 0.69 MAOA (0.33) FGFR1MAOA
SCHEMBL5047814 0.67 MAPT (0.46) HTR2AKAT6AMEN1LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7432291-B2 Ether derivatives HOFFMAN-LA ROCHE INC. (US) 2008-10-07 US disclosed
EP-1727815-B1 ETHER DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS HOFFMANN LA ROCHE (CH) 2007-06-27 EP disclosed
CN-1930154-A Ether derivatives, their manufacture and use as pharmaceutical agents HOFFMANN LA ROCHE (CH) 2007-03-14 CN disclosed
EP-1727815-A1 ETHER DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS F.HOFFMANN-LA ROCHE AG (CH) 2006-12-06 EP disclosed
WO-2005090338-A1 ETHER DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2005-09-29 WO disclosed
US-20050209290-A1 Novel ether derivatives F. HOFFMAN-LA ROCHE AG (CH) 2005-09-22 US 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-20050209290-A1 Novel ether derivatives CYP2E1, CYP11B1, CYP11B2 DPP4 1749/4885HTR2A 3596/4885FGFR1 2092/4885

“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.