SCHEMBL4606111

SCHEMBL4606111

O=S(=O)(CCn1ccnn1)Cc1ccc(OCc2coc(C=Cc3ccc(OC(F)(F)F)cc3)n2)cc1

nearest known ligand 0.63

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ERBB2 P04626 11/20 0.63
MINK1 Q8N4C8 1/20 0.63
MMP1 P03956 1/20 0.33
MMP2 P08253 1/20 0.33
MMP9 P14780 1/20 0.33
MMP14 P50281 1/20 0.33
ADAM17 P78536 1/20 0.33
CYP19A1 P11511 1/20 0.31
CYP11B1 P15538 1/20 0.31
CYP11B2 P19099 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
SCHEMBL4606108 1.00 ERBB2 (0.63) ERBB2MINK1MMP1MMP2MMP9
SCHEMBL5649779 0.89 ERBB2 (0.59) ERBB2MINK1
SCHEMBL27652951 0.89 ERBB2 (0.59) ERBB2MINK1
SCHEMBL5045125 0.89 ERBB2 (0.59) ERBB2MINK1
SCHEMBL5045124 0.89 ERBB2 (0.59) ERBB2MINK1
SCHEMBL4607047 0.88 ERBB2 (0.53) ERBB2MINK1
SCHEMBL4607046 0.88 ERBB2 (0.53) ERBB2MINK1
SCHEMBL5524354 0.85 ERBB2 (0.85) ERBB2MINK1CYP19A1CYP11B1CYP11B2
SCHEMBL5043377 0.85 ERBB2 (0.67) ERBB2MINK1CYP19A1CYP11B1CYP11B2
SCHEMBL5043378 0.85 ERBB2 (0.67) ERBB2MINK1CYP19A1CYP11B1CYP11B2

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 2814/4885MMP1 4884/4885

“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.