SCHEMBL5047862

SCHEMBL5047862

Fc1cc(SC(F)(F)F)ccc1/C=C/c1nc(COc2ccc(COCCn3ccnn3)cc2)co1

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ERBB2 P04626 1/20 0.53
MINK1 Q8N4C8 1/20 0.53
PTPRZ1 P23471 1/20 0.35
NCF1 P14598 7/20 0.34
CYBB P04839 1/20 0.33
NOX5 Q96PH1 1/20 0.33
MAPT P10636 1/20 0.30

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
SCHEMBL5047868 1.00 ERBB2 (0.53) ERBB2MINK1PTPRZ1NCF1CYBB
SCHEMBL5046692 0.89 ERBB2 (0.54) ERBB2MINK1NCF1CYBBNOX5
SCHEMBL28472184 0.89 ERBB2 (0.62) ERBB2MINK1NCF1CYBBNOX5
SCHEMBL5046695 0.89 ERBB2 (0.54) ERBB2MINK1NCF1CYBBNOX5
SCHEMBL22397878 0.89 ERBB2 (0.62) ERBB2MINK1NCF1CYBBNOX5
SCHEMBL5050360 0.89 ERBB2 (0.64) ERBB2MINK1PTPRZ1NCF1
SCHEMBL5050366 0.89 ERBB2 (0.64) ERBB2MINK1PTPRZ1NCF1
SCHEMBL24112051 0.88 ERBB2 (0.54) ERBB2MINK1NCF1CYBBNOX5
SCHEMBL5561683 0.88 ERBB2 (0.52) ERBB2MINK1NCF1CYBBNOX5
SCHEMBL5561502 0.88 ERBB2 (0.52) ERBB2MINK1NCF1CYBBNOX5

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 10 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 claimed
EP-1727815-B1 ETHER DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS HOFFMANN LA ROCHE (CH) 2007-06-27 EP claimed
CN-1930154-A Ether derivatives, their manufacture and use as pharmaceutical agents HOFFMANN LA ROCHE (CH) 2007-03-14 CN claimed
EP-1727815-A1 ETHER DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS F.HOFFMANN-LA ROCHE AG (CH) 2006-12-06 EP claimed
WO-2005090338-A1 ETHER DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2005-09-29 WO claimed
US-20050209290-A1 Novel ether derivatives F. HOFFMAN-LA ROCHE AG (CH) 2005-09-22 US claimed
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
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 ERBB2 823/4885MINK1 2620/4885PTPRZ1 2208/4885

“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.