SCHEMBL534740

SCHEMBL534740

O=C(O)CSCOc1ccc2ncc(Br)cc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.39
HPGD P15428 3/20 0.39
F2 P00734 1/20 0.39
GLA P06280 1/20 0.39
PDE3B Q13370 5/20 0.38
PDE3A Q14432 5/20 0.38
PDE2A O00408 4/20 0.38
P2RY12 Q9H244 4/20 0.38
PDE10A Q9Y233 1/20 0.36
PTPN7 P35236 1/20 0.35
KDM4E B2RXH2 2/20 0.35
GAA P10253 1/20 0.35
CYP1A2 P05177 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
HSD17B10 Q99714 1/20 0.35
PPARG P37231 1/20 0.35
PPARA Q07869 1/20 0.35
PDGFRB P09619 1/20 0.34
PDGFRA P16234 1/20 0.34

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
SCHEMBL535369 0.85 ALDH1A1 (0.39) ALDH1A1HPGDF2GLAPDE3B
SCHEMBL534548 0.81 ALDH1A1 (0.37) ALDH1A1HPGDF2GLAPDE3B
SCHEMBL534453 0.79 ALDH1A1 (0.51) ALDH1A1HPGDPTPN7KDM4ECYP1A2
SCHEMBL3613071 0.78 PDE3B (0.43) ALDH1A1HPGDF2GLAPDE3B
SCHEMBL535210 0.78 ALDH1A1 (0.33) ALDH1A1HPGDKDM4EGAACYP1A2
SCHEMBL3222962 0.78 PDGFRB (0.32) KDM4EGAAPDGFRBPDGFRA
SCHEMBL1927107 0.78 ALDH1A1 (0.31) ALDH1A1
SCHEMBL3214997 0.78 BCAT2 (0.39) ALDH1A1KDM4EGAAHSD17B10PDGFRB
SCHEMBL3224102 0.78 MALT1 (0.36) ALDH1A1KDM4EGAAPDGFRBPDGFRA
SCHEMBL534741 0.75 ALDH1A1 (0.43) ALDH1A1HPGDF2GLAPPARG

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
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
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
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 (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-20100298356-A1 SATURATED AND INSATURATED BI- OR TRICYCLIC ARYLOXYACETAMINE DERIVATIVES AND THEIR USE AS FUNGICIDES CYP1A2, CYP1B1, CYP1A1 ALDH1A1 109/4885HPGD 2661/4885F2 3671/4885

“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.