SCHEMBL17494875

SCHEMBL17494875

CCS(=O)(=O)c1cc(Br)ccc1C(=O)OC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.46
NR4A2 P43354 1/20 0.46
GLA P06280 1/20 0.46
ALDH1A1 P00352 4/20 0.44
KDM4E B2RXH2 3/20 0.44
MAPT P10636 1/20 0.44
HPGD P15428 1/20 0.44
CA2 P00918 4/20 0.44
CA1 P00915 2/20 0.44
CA9 Q16790 2/20 0.44
CA5A P35218 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.43
PSMD14 O00487 1/20 0.42
POLB P06746 1/20 0.42
MMP2 P08253 1/20 0.42
DNMT1 P26358 1/20 0.42
RECQL P46063 1/20 0.42
KMT2A Q03164 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
TSHR P16473 1/20 0.42

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
SCHEMBL1369472 0.84 NR4A2 (0.48) SMN1; SMN2NR4A2GLAALDH1A1KDM4E
SCHEMBL21962894 0.83 CA2 (0.61) SMN1; SMN2NR4A2GLAALDH1A1KDM4E
SCHEMBL17078010 0.83 NR4A2 (0.47) SMN1; SMN2NR4A2GLAALDH1A1KDM4E
SCHEMBL17494889 0.82 GLA (0.44) SMN1; SMN2GLAALDH1A1KDM4EMAPT
SCHEMBL1368657 0.80 KDM4E (0.45) SMN1; SMN2NR4A2GLAALDH1A1KDM4E
SCHEMBL22010261 0.80 CA2 (0.50) SMN1; SMN2NR4A2GLAALDH1A1KDM4E
SCHEMBL28706486 0.80 ALDH1A1 (0.43) SMN1; SMN2GLAALDH1A1KDM4EMAPT
SCHEMBL30614486 0.79 GSK3B (0.42) SMN1; SMN2GLAALDH1A1MAPTHPGD
SCHEMBL29295507 0.79 NR4A2 (0.43) SMN1; SMN2NR4A2GLAALDH1A1KDM4E
SCHEMBL24175870 0.77 CA1 (0.67) GLAALDH1A1KDM4ECA2CA1

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3180341-B1 PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULPHUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2022-04-27 EP disclosed
EP-3180341-B1 PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULPHUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2022-04-27 EP disclosed
CN-107074846-B Pesticidally active heterocyclic derivatives with sulphur containing substituents 先正达参股股份有限公司 2020-05-19 CN disclosed
US-10450311-B2 Pesticidally active heterocyclic derivatives with sulphur containing substituents SYNGENTA PARTICIPATIONS AG (CH) 2019-10-22 US disclosed
US-10450311-B2 Pesticidally active heterocyclic derivatives with sulphur containing substituents SYNGENTA PARTICIPATIONS AG (CH) 2019-10-22 US disclosed
US-20180334456-A1 PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULPHUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2018-11-22 US disclosed
US-10005775-B2 Pesticidally active heterocyclic derivatives with sulphur containing substituents SYNGENTA PARTICIPATIONS, AG (CH) 2018-06-26 US disclosed
US-10005775-B2 Pesticidally active heterocyclic derivatives with sulphur containing substituents SYNGENTA PARTICIPATIONS, AG (CH) 2018-06-26 US disclosed
US-10005775-B2 Pesticidally active heterocyclic derivatives with sulphur containing substituents SYNGENTA PARTICIPATIONS, AG (CH) 2018-06-26 US disclosed
US-20170233389-A1 PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULPHUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2017-08-17 US disclosed
US-20170233389-A1 PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULPHUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2017-08-17 US disclosed
US-20170233389-A1 PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULPHUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2017-08-17 US disclosed
EP-3180341-A2 PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULPHUR CONTAINING SUBSTITUENTS Syngenta Participations AG (CH) 2017-06-21 EP disclosed
WO-2016120182-A1 PESTICIDALLY ACTIVE AMIDE HETEROCYCLIC DERIVATIVES WITH SULPHUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2016-08-04 WO disclosed
WO-2016120182-A1 PESTICIDALLY ACTIVE AMIDE HETEROCYCLIC DERIVATIVES WITH SULPHUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2016-08-04 WO disclosed
WO-2016023954-A2 PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULPHUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2016-02-18 WO disclosed
WO-2016023954-A2 PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULPHUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2016-02-18 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 (4 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-20170233389-A1 PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULPHUR CONTAINING SUBSTITUENTS DDT, ACHE, GSTM1 SMN1; SMN2 270/4885NR4A2 2140/4885GLA 4182/4885
US-10005775-B2 Pesticidally active heterocyclic derivatives with sulphur containing substituents DDT, ACHE, GSTM1 SMN1; SMN2 270/4885NR4A2 2140/4885GLA 4182/4885
US-10450311-B2 Pesticidally active heterocyclic derivatives with sulphur containing substituents DDT, ACHE, GSTM1 SMN1; SMN2 270/4885NR4A2 2140/4885GLA 4182/4885
US-20180334456-A1 PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULPHUR CONTAINING SUBSTITUENTS DDT, ACHE, GSTM1 SMN1; SMN2 270/4885NR4A2 2140/4885GLA 4182/4885

“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.