SCHEMBL5648283

SCHEMBL5648283

FS(F)(F)(F)(F)c1ccc(C=Cc2nc(COc3ccc(CCCCn4ccnc4)cc3)co2)cc1

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ERBB2 P04626 1/20 0.58
MINK1 Q8N4C8 1/20 0.58
ATP4A P20648 8/20 0.47
ATP4B P51164 8/20 0.47
HMOX1 P09601 3/20 0.41
NOS1 P29475 1/20 0.39
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39

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
SCHEMBL5760885 0.89 ERBB2 (0.57) ERBB2MINK1ATP4AATP4BHMOX1
SCHEMBL5760882 0.89 ERBB2 (0.57) ERBB2MINK1ATP4AATP4BHMOX1
SCHEMBL31217458 0.88 ERBB2 (0.74) ERBB2MINK1ATP4AATP4BHMOX1
SCHEMBL5758829 0.88 ERBB2 (0.57) ERBB2MINK1ATP4AATP4BHMOX1
SCHEMBL5761155 0.88 ERBB2 (0.57) ERBB2MINK1ATP4AATP4BHMOX1
SCHEMBL5758825 0.88 ERBB2 (0.57) ERBB2MINK1ATP4AATP4BHMOX1
SCHEMBL5761163 0.88 ERBB2 (0.57) ERBB2MINK1ATP4AATP4BHMOX1
SCHEMBL5755640 0.86 ERBB2 (0.54) ERBB2MINK1ATP4AATP4BHMOX1
SCHEMBL5755643 0.86 ERBB2 (0.54) ERBB2MINK1ATP4AATP4BHMOX1
SCHEMBL5650507 0.85 ERBB2 (0.79) ERBB2MINK1ATP4AATP4B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7235574-B2 Pentafluorosulfanyl compounds HOFFMANN-LA ROCHE INC. (US) 2007-06-26 US claimed
EP-1725549-A1 PENTAFLUOROSULFANYL COMPOUNDS, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS F.HOFFMANN-LA ROCHE AG (CH) 2006-11-29 EP claimed
WO-2005095388-A1 PENTAFLUOROSULFANYL COMPOUNDS, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2005-10-13 WO claimed
US-20050197370-A1 Novel pentafluorosulfanyl compounds HOFFMANN-LA ROCHE INC. 2005-09-08 US claimed
US-7235574-B2 Pentafluorosulfanyl compounds HOFFMANN-LA ROCHE INC. (US) 2007-06-26 US disclosed
EP-1725549-A1 PENTAFLUOROSULFANYL COMPOUNDS, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS F.HOFFMANN-LA ROCHE AG (CH) 2006-11-29 EP disclosed
WO-2005095388-A1 PENTAFLUOROSULFANYL COMPOUNDS, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2005-10-13 WO disclosed
US-20050197370-A1 Novel pentafluorosulfanyl compounds HOFFMANN-LA ROCHE INC. 2005-09-08 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-20050197370-A1 Novel pentafluorosulfanyl compounds SF3B5, SF3B1, SF3B3 ERBB2 1678/4885MINK1 2588/4885ATP4A 3018/4885

“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.