SCHEMBL535210

SCHEMBL535210

Cc1cc(OCSCC(=O)O)cc2cc(Br)cnc12

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.33
TSHR P16473 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MCL1 Q07820 1/20 0.33
ALOX15 P16050 1/20 0.32
HPGD P15428 3/20 0.32
BCAT2 O15382 1/20 0.32
PTPRB P23467 1/20 0.32
HSD17B10 Q99714 1/20 0.32
RXFP1 Q9HBX9 2/20 0.31
CYP1A2 P05177 2/20 0.31
LMNA P02545 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
HTT P42858 1/20 0.31
KDM4E B2RXH2 2/20 0.31
TDP1 Q9NUW8 1/20 0.31
GAA P10253 1/20 0.31
MEN1 O00255 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
SCHEMBL1927107 0.85 ALDH1A1 (0.31) ALDH1A1
SCHEMBL1926138 0.85 TSHR (0.33) ALDH1A1TSHRSMN1; SMN2MCL1ALOX15
SCHEMBL3103588 0.85 MCL1 (0.38) ALDH1A1TSHRSMN1; SMN2MCL1ALOX15
SCHEMBL534712 0.82 PARP1 (0.37) ALDH1A1TSHRSMN1; SMN2MCL1ALOX15
SCHEMBL3214997 0.78 BCAT2 (0.39) ALDH1A1TSHRSMN1; SMN2BCAT2HSD17B10
SCHEMBL534740 0.78 ALDH1A1 (0.39) ALDH1A1HPGDHSD17B10CYP1A2LMNA
SCHEMBL535211 0.77 TDP1 (0.32) SMN1; SMN2TDP1
SCHEMBL14869176 0.74 LMNA (0.30) CYP1A2LMNACYP3A4CYP2C9CYP2C19
SCHEMBL3617277 0.73 SMN1; SMN2 (0.52) SMN1; SMN2CYP1A2LMNACYP3A4CYP2C9
SCHEMBL3103668 0.73 MAPT (0.42) ALDH1A1TSHRSMN1; SMN2HPGDHSD17B10

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 109/4885TSHR 1767/4885SMN1; SMN2 2208/4885

“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.