SCHEMBL4606288

SCHEMBL4606288

C=CCOc1ccc(C[S+]([O-])CCn2ccnn2)c(C)c1

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
HPGD P15428 1/20 0.33
FGFR1 P11362 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
SCHEMBL4592972 0.83 ALDH1A1 (0.37) ALDH1A1HPGD
SCHEMBL5049275 0.80 GAA (0.37) MAOAALDH1A1GAAHPGDFGFR1
SCHEMBL4607300 0.79 MAOA (0.34) MAOAALDH1A1GAAHPGDFGFR1
SCHEMBL4501360 0.78 MAOA (0.35) MAOAALDH1A1GAAHPGDFGFR1
SCHEMBL4605651 0.72 ERBB2 (0.53)
SCHEMBL4605656 0.72 ERBB2 (0.53)
SCHEMBL4605770 0.71 ERBB2 (0.42) FGFR1
SCHEMBL5050508 0.69 DPP4 (0.39) MAOAFGFR1
SCHEMBL4607023 0.67 ESR1 (0.39)
SCHEMBL6027103 0.67 CYP19A1 (0.47) GAAHPGD

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 5 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 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 MAOA 4773/4885ALDH1A1 129/4885GAA 1699/4885

“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.