SCHEMBL4607158

SCHEMBL4607158

[O-][S+](CCn1ccnn1)Cc1ccc(OCc2coc(C=Cc3ccc(SC(F)(F)F)cc3)n2)cc1

nearest known ligand 0.61

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ERBB2 P04626 4/20 0.61
MINK1 Q8N4C8 1/20 0.61
PTPRZ1 P23471 1/20 0.35

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
SCHEMBL4607157 1.00 ERBB2 (0.61) ERBB2MINK1PTPRZ1
SCHEMBL4605549 0.90 ERBB2 (0.63) ERBB2MINK1
SCHEMBL4605548 0.90 ERBB2 (0.63) ERBB2MINK1
SCHEMBL5045049 0.89 ERBB2 (0.61) ERBB2MINK1
SCHEMBL5045052 0.89 ERBB2 (0.61) ERBB2MINK1
SCHEMBL5046560 0.87 ERBB2 (0.60) ERBB2MINK1PTPRZ1
SCHEMBL5046555 0.87 ERBB2 (0.60) ERBB2MINK1PTPRZ1
SCHEMBL4606155 0.87 ERBB2 (0.59) ERBB2MINK1
SCHEMBL5648026 0.87 ERBB2 (0.59) ERBB2MINK1
SCHEMBL4606162 0.87 ERBB2 (0.59) ERBB2MINK1

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
EP-1761525-B1 THIOETHER DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS HOFFMANN LA ROCHE (CH) 2008-07-23 EP claimed
EP-1761525-A1 THIOETHER DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS F.HOFFMANN-LA ROCHE AG (CH) 2007-03-14 EP claimed
US-7005526-B2 Thioether derivatives HOFFMANN-LA ROCHE INC. (US) 2006-02-28 US claimed
WO-2005116019-A1 THIOETHER DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2005-12-08 WO claimed
US-20050267179-A1 NOVEL THIOETHER DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2005-12-01 US claimed
EP-1761525-B1 THIOETHER DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS HOFFMANN LA ROCHE (CH) 2008-07-23 EP disclosed
EP-1761525-A1 THIOETHER DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS F.HOFFMANN-LA ROCHE AG (CH) 2007-03-14 EP disclosed
US-7005526-B2 Thioether derivatives HOFFMANN-LA ROCHE INC. (US) 2006-02-28 US disclosed
WO-2005116019-A1 THIOETHER DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2005-12-08 WO disclosed
US-20050267179-A1 NOVEL THIOETHER DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2005-12-01 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-20050267179-A1 NOVEL THIOETHER DERIVATIVES TPMT, TST, SULT1E1 ERBB2 581/4885MINK1 2814/4885PTPRZ1 2427/4885

“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.