SCHEMBL4607300

SCHEMBL4607300

C=CCOc1ccc(CSCCn2ccnn2)c(C)c1

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.34
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34
HPGD P15428 1/20 0.34
FGFR1 P11362 1/20 0.31
MEN1 O00255 1/20 0.30
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30
KMT2A Q03164 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
HTT P42858 1/20 0.30
ADRA2A P08913 1/20 0.30
ADRA2B P18089 1/20 0.30
ADRA2C P18825 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
SCHEMBL4599530 0.82 ALDH1A1 (0.38) ALDH1A1HPGDLMNAMAPTSMN1; SMN2
SCHEMBL5049275 0.82 GAA (0.37) MAOAALDH1A1GAAHPGDFGFR1
SCHEMBL4606288 0.79 MAOA (0.33) MAOAALDH1A1GAAHPGDFGFR1
SCHEMBL4512856 0.77 MAOA (0.36) MAOAALDH1A1GAAHPGDFGFR1
SCHEMBL5050508 0.71 DPP4 (0.39) MAOAFGFR1MEN1LMNAMAPT
SCHEMBL4605889 0.71 ERBB2 (0.54)
SCHEMBL4605892 0.71 ERBB2 (0.54)
SCHEMBL22700982 0.68 ALDH1A1 (0.48) MAOAALDH1A1GAAHPGDMEN1
SCHEMBL4592008 0.67 ALDH1A1 (0.38) ALDH1A1HPGDLMNAMAPTSMN1; SMN2
SCHEMBL4516014 0.67 HPGD (0.47) MAOAALDH1A1GAAHPGDFGFR1

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.