SCHEMBL534453

SCHEMBL534453

O=C(O)CSCOc1ccc2ncccc2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.51
PPARG P37231 1/20 0.47
PPARA Q07869 1/20 0.47
MCL1 Q07820 2/20 0.46
ALOX15 P16050 1/20 0.45
HTT P42858 1/20 0.45
CYP3A4 P08684 4/20 0.44
MAPT P10636 2/20 0.43
NPC1 O15118 2/20 0.43
ALOX5 P09917 1/20 0.43
MEN1 O00255 1/20 0.43
POLB P06746 1/20 0.43
KMT2A Q03164 1/20 0.43
HSD17B10 Q99714 2/20 0.43
CYP1A2 P05177 1/20 0.43
TSHR P16473 1/20 0.43
KDM4E B2RXH2 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
PTPN7 P35236 1/20 0.43
RAB9A P51151 2/20 0.43

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
SCHEMBL7978731 0.81 PTPN7 (0.66) ALDH1A1PPARGPPARAMCL1ALOX15
SCHEMBL535369 0.79 ALDH1A1 (0.39) ALDH1A1NPC1MEN1KMT2AHSD17B10
SCHEMBL534740 0.79 ALDH1A1 (0.39) ALDH1A1PPARGPPARANPC1MEN1
SCHEMBL535592 0.78 MCL1 (0.56) ALDH1A1PPARGPPARAMCL1ALOX15
SCHEMBL5267380 0.75 ALDH1A1 (0.68) ALDH1A1PPARGPPARAMCL1ALOX15
Malonic Acid SCHEMBL11881627 0.75 ALDH1A1 (0.60) ALDH1A1MCL1ALOX15HTTCYP3A4
SCHEMBL19924517 0.75 ALDH1A1 (0.64) ALDH1A1PPARGPPARAMCL1ALOX15
SCHEMBL27680141 0.75 AGXT (0.61) ALDH1A1MCL1ALOX15HTTCYP3A4
SCHEMBL159056 0.74 ALDH1A1 (0.56) ALDH1A1PPARGPPARAMCL1ALOX15
SCHEMBL534454 0.74 ALDH1A1 (0.56) ALDH1A1PPARGPPARAMCL1ALOX15

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 109/4885PPARG 323/4885PPARA 605/4885

“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.