SCHEMBL534548

SCHEMBL534548

C#Cc1cnc2ccc(OCSCC(=O)O)cc2c1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.37
HPGD P15428 3/20 0.37
F2 P00734 1/20 0.37
GLA P06280 1/20 0.37
PARP1 P09874 1/20 0.36
PDE3B Q13370 5/20 0.36
PDE3A Q14432 5/20 0.36
PDE2A O00408 4/20 0.36
P2RY12 Q9H244 4/20 0.36
EGLN1 Q9GZT9 1/20 0.35
PDE10A Q9Y233 1/20 0.35
KDM4E B2RXH2 2/20 0.33
PTPN7 P35236 1/20 0.33
CYP1A2 P05177 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
GAA P10253 1/20 0.33
HSD17B10 Q99714 1/20 0.33
SMN1; SMN2 Q16637 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
SCHEMBL534740 0.81 ALDH1A1 (0.39) ALDH1A1HPGDF2GLAPDE3B
SCHEMBL535369 0.81 ALDH1A1 (0.39) ALDH1A1HPGDF2GLAPDE3B
SCHEMBL2872336 0.81 PDE3B (0.42) ALDH1A1HPGDF2GLAPARP1
SCHEMBL534712 0.79 PARP1 (0.37) ALDH1A1HPGDPARP1EGLN1HSD17B10
SCHEMBL534549 0.77 ALDH1A1 (0.40) ALDH1A1HPGDF2GLAPARP1
SCHEMBL2867975 0.76 ALDH1A1 (0.37) ALDH1A1HPGDF2GLAPARP1
SCHEMBL534453 0.76 ALDH1A1 (0.51) ALDH1A1HPGDKDM4EPTPN7CYP1A2
SCHEMBL17203163 0.75 PARP1 (0.40) ALDH1A1HPGDF2GLAPARP1
SCHEMBL2867979 0.75 ALDH1A1 (0.38) ALDH1A1HPGDF2GLAPARP1
SCHEMBL12817605 0.74 ALDH1A1 (0.41) ALDH1A1HPGDF2GLAPARP1

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 10 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-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 (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 109/4885HPGD 2661/4885F2 3671/4885
US-20100280068-A1 QUINOLINE DERIVATIVES AND THEIR USE AS FUNGICIDES CYP1A1, CYP3A7, CYP1A2 ALDH1A1 350/4885HPGD 3732/4885F2 4237/4885

“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.