SCHEMBL534433

SCHEMBL534433

COC(=O)C(C)(S)Oc1ccc2ncc(Br)cc2c1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
F2 P00734 1/20 0.43
GLA P06280 1/20 0.43
HPGD P15428 1/20 0.43
MALT1 Q9UDY8 1/20 0.38
HPGDS O60760 3/20 0.36
ALPL P05186 4/20 0.36
PDGFRB P09619 2/20 0.35
PDGFRA P16234 2/20 0.35
ABL1 P00519 2/20 0.35
TSHR P16473 1/20 0.34
HTT P42858 1/20 0.34
EGFR P00533 1/20 0.33
KDM4E B2RXH2 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
SYK P43405 1/20 0.33

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
SCHEMBL534720 0.94 ALDH1A1 (0.39) ALDH1A1F2GLAHPGDMALT1
SCHEMBL1929011 0.79 CNR2 (0.33) ALDH1A1
SCHEMBL3217590 0.79 PDGFRB (0.35) ALDH1A1MALT1HPGDSALPLPDGFRB
SCHEMBL3227640 0.79 MALT1 (0.41) HPGDMALT1ALPLPDGFRBPDGFRA
SCHEMBL1927850 0.78 HPGDS (0.38) ALDH1A1F2GLAHPGDMALT1
SCHEMBL3611213 0.74 ALDH1A1 (0.47) ALDH1A1F2GLAHPGDKDM4E
SCHEMBL621672 0.74 PDGFRB (0.58) ALDH1A1F2GLAHPGDHPGDS
SCHEMBL3613111 0.73 ALDH1A1 (0.46) ALDH1A1F2GLAHPGDMALT1
SCHEMBL3150403 0.73 ALDH1A1 (0.67) ALDH1A1F2GLAHPGDKDM4E
SCHEMBL1928587 0.73 FBP1 (0.39) ALDH1A1F2GLAHPGDTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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-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-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 (2 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

“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.