SCHEMBL534450

SCHEMBL534450

COC(=O)C(Oc1ccc2ncc(C#C[Si](C)(C)C)cc2c1)SC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.39
F2 P00734 1/20 0.39
GLA P06280 1/20 0.39
HPGD P15428 1/20 0.39
PDGFRB P09619 2/20 0.36
PDGFRA P16234 2/20 0.36
MET P08581 6/20 0.34
ACACB O00763 1/20 0.33
HPGDS O60760 3/20 0.32
EGFR P00533 1/20 0.32
PPARG P37231 3/20 0.32
PPARD Q03181 2/20 0.32
PPARA Q07869 2/20 0.32
KDR P35968 3/20 0.32
AURKA O14965 1/20 0.32
ABL1 P00519 1/20 0.32
LCK P06239 1/20 0.32
FYN P06241 1/20 0.32
YES1 P07947 1/20 0.32
FGFR2 P21802 1/20 0.32

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
SCHEMBL633957 0.86 HPGDS (0.35) ALDH1A1F2GLAHPGDPDGFRB
SCHEMBL12817605 0.86 ALDH1A1 (0.41) ALDH1A1F2GLAHPGDPDGFRB
SCHEMBL2878821 0.85 ALDH1A1 (0.40) ALDH1A1F2GLAHPGDPDGFRB
SCHEMBL3732931 0.83 ALDH1A1 (0.33) ALDH1A1F2GLAHPGDPDGFRB
SCHEMBL14769656 0.83 ALDH1A1 (0.44) ALDH1A1F2GLAHPGDPDGFRB
SCHEMBL3804337 0.83 RAB9A (0.34) ALDH1A1F2GLAHPGDMET
SCHEMBL14773121 0.82 ALDH1A1 (0.54) ALDH1A1F2GLAHPGDPDGFRB
SCHEMBL3740789 0.82 MET (0.32) ALDH1A1F2GLAHPGDMET
SCHEMBL2879160 0.81 HPGDS (0.32) ALDH1A1F2GLAHPGDHPGDS
SCHEMBL534696 0.81 MET (0.33) ALDH1A1F2GLAHPGDMET

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140045890-A1 NOVEL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2014-02-13 US disclosed
US-20140045890-A1 NOVEL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2014-02-13 US disclosed
EP-2691386-A1 QUINOLINE DERIVATIVES AS FUNGICIDES Syngenta Participations AG (CH) 2014-02-05 EP disclosed
US-8507509-B2 Saturated and insaturated bi- or tricyclic aryloxyacetamine derivatives and their use as fungicides SYNGENTA CROP PROTECTION LLC (US) 2013-08-13 US disclosed
US-8415272-B2 Quinoline derivatives and their use as fungicides SYNGENTA CROP PROTECTION LLC (US) 2013-04-09 US disclosed
WO-2012130917-A1 QUINOLINE DERIVATIVES AS FUNGICIDES SYNGENTA PARTICIPATIONS AG (CH) 2012-10-04 WO disclosed
EP-2231614-B1 Quinoline derivatives and their use as fungicides SYNGENTA PARTICIPATIONS AG (CH) 2012-02-22 EP disclosed
EP-2185518-B1 Aryloxyacetamide derivatives and their use as fungicides SYNGENTA PARTICIPATIONS AG (CH) 2012-02-08 EP disclosed
US-20100298356-A1 SATURATED AND INSATURATED BI- OR TRICYCLIC ARYLOXYACETAMINE DERIVATIVES AND THEIR USE AS FUNGICIDES SYNGENTA CROP PROTECTION, INC. (US) 2010-11-25 US disclosed
US-20100280068-A1 QUINOLINE DERIVATIVES AND THEIR USE AS FUNGICIDES SYNGENTA CROP PROTECTION, INC. (US) 2010-11-04 US disclosed
EP-2231614-A2 QUINOLINE DERIVATIVES AND THEIR USE AS FUNGICIDES Syngenta Participations AG (CH) 2010-09-29 EP disclosed
EP-2185518-A2 SATURATED AND INSATURATED BI- OR TRICYCLIC ARYLOXYACETAMIDE DERIVATIVES AND THEIR USE AS FUNGICIDES Syngenta Participations AG (CH) 2010-05-19 EP disclosed
WO-2009087098-A2 QUINOLINE DERIVATIVES AND THEIR USE AS FUNGICIDES SYNGENTA PARTICIPATIONS AG (CH) 2009-07-16 WO disclosed
WO-2009030467-A2 SATURATED AND INSATURATED BI- OR TRICYCLIC ARYLOXYACETAMIDE DERIVATIVES AND THEIR USE AS FUNGICIDES SYNGENTA PARTICIPATIONS AG, (CH) 2009-03-12 WO 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 (3 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-20100298356-A1 SATURATED AND INSATURATED BI- OR TRICYCLIC ARYLOXYACETAMINE DERIVATIVES AND THEIR USE AS FUNGICIDES CYP1A2, CYP1B1, CYP1A1 ALDH1A1 109/4885F2 3671/4885GLA 1819/4885
US-20100280068-A1 QUINOLINE DERIVATIVES AND THEIR USE AS FUNGICIDES CYP1A1, CYP3A7, CYP1A2 ALDH1A1 350/4885F2 4237/4885GLA 1984/4885
US-20140045890-A1 NOVEL COMPOUNDS CYP1B1, CYP1A1, CYP51A1 ALDH1A1 248/4885F2 3735/4885GLA 1020/4885

“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.