SCHEMBL534712

SCHEMBL534712

C#Cc1cnc2c(C)cc(OCSCC(=O)O)cc2c1

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.37
EGLN1 Q9GZT9 1/20 0.34
MCL1 Q07820 1/20 0.33
HPGD P15428 1/20 0.32
PTPRB P23467 1/20 0.32
HSD17B10 Q99714 1/20 0.32
ALDH1A1 P00352 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.31
TSHR P16473 1/20 0.31
ALOX15 P16050 1/20 0.30

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
SCHEMBL535210 0.82 ALDH1A1 (0.33) MCL1HPGDPTPRBHSD17B10ALDH1A1
SCHEMBL3103588 0.82 MCL1 (0.38) MCL1HPGDALDH1A1SMN1; SMN2TSHR
SCHEMBL1926138 0.82 TSHR (0.33) MCL1HPGDPTPRBHSD17B10ALDH1A1
SCHEMBL633376 0.79 PARP1 (0.35) PARP1EGLN1
SCHEMBL534548 0.79 ALDH1A1 (0.37) PARP1EGLN1HPGDHSD17B10ALDH1A1
SCHEMBL534713 0.78 PARP1 (0.38) PARP1EGLN1
SCHEMBL30574369 0.76 PARP1 (0.41) PARP1
SCHEMBL21723834 0.76 PARP1 (0.39) PARP1
SCHEMBL29564411 0.76 PARP1 (0.39) PARP1
SCHEMBL23780875 0.75 PARP1 (0.38) PARP1

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 PARP1 4723/4885EGLN1 2253/4885MCL1 1502/4885

“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.