SCHEMBL18171984

SCHEMBL18171984

CCOC(=O)c1nc(Br)sc1SCC

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.45
CYP1A2 P05177 2/20 0.45
GAA P10253 2/20 0.40
HSD17B10 Q99714 1/20 0.40
LMNA P02545 1/20 0.39
TARBP2 Q15633 1/20 0.39
HPGD P15428 3/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
MAPT P10636 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
KDM4E B2RXH2 2/20 0.36
DHODH Q02127 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
TSHR P16473 1/20 0.36

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
SCHEMBL18171986 0.80 HSD17B10 (0.36) ALDH1A1HSD17B10HPGDMEN1KMT2A
SCHEMBL18173844 0.79 HSD17B10 (0.35) ALDH1A1HSD17B10HPGDMEN1KMT2A
SCHEMBL8726638 0.78 ALDH1A1 (0.51) ALDH1A1CYP1A2GAALMNATARBP2
SCHEMBL299269 0.78 GAA (0.56) ALDH1A1CYP1A2GAALMNATARBP2
SCHEMBL1919483 0.77 ALDH1A1 (0.68) ALDH1A1CYP1A2GAAHSD17B10LMNA
SCHEMBL2367363 0.76 ALDH1A1 (0.57) ALDH1A1CYP1A2GAAHSD17B10LMNA
SCHEMBL4971356 0.76 ALDH1A1 (0.49) ALDH1A1CYP1A2GAAHSD17B10LMNA
SCHEMBL595444 0.76 ALDH1A1 (0.49) ALDH1A1CYP1A2GAAHSD17B10LMNA
SCHEMBL18173834 0.74 TRPM8 (0.59) TARBP2MAPTSMN1; SMN2KDM4E
SCHEMBL15251297 0.74 ALDH1A1 (0.55) ALDH1A1CYP1A2GAAHSD17B10LMNA

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107531704-B Pesticidally active polycyclic derivatives with sulfur-substituted five-membered ring heterocycles 先正达参股股份有限公司 2021-01-01 CN disclosed
CN-108040481-B Pesticidally active polycyclic derivatives with sulfur-substituted five-membered ring heterocycles 先正达参股股份有限公司 2020-10-30 CN disclosed
EP-3656770-A2 PESTICIDALLY ACTIVE POLYCYCLIC DERIVATIVES WITH SULFUR SUBSTITUTED FIVE-MEMBERED RING HETEROCYCLES Syngenta Participations AG (CH) 2020-05-27 EP disclosed
EP-3656770-A2 PESTICIDALLY ACTIVE POLYCYCLIC DERIVATIVES WITH SULFUR SUBSTITUTED FIVE-MEMBERED RING HETEROCYCLES Syngenta Participations AG (CH) 2020-05-27 EP disclosed
EP-3286186-B1 PESTICIDALLY ACTIVE POLYCYCLIC DERIVATIVES WITH SULFUR SUBSTITUTED FIVE MEMBERED RING HETEROCYLES SYNGENTA PARTICIPATIONS AG (CH) 2020-05-06 EP disclosed
EP-3286186-B1 PESTICIDALLY ACTIVE POLYCYCLIC DERIVATIVES WITH SULFUR SUBSTITUTED FIVE MEMBERED RING HETEROCYLES SYNGENTA PARTICIPATIONS AG (CH) 2020-05-06 EP disclosed
EP-3286187-B1 PESTICIDALLY ACTIVE POLYCYCLIC DERIVATIVES WITH SULFUR SUBSTITUTED FIVE-MEMBERED RING HETEROCYLES SYNGENTA PARTICIPATIONS AG (CH) 2019-09-18 EP disclosed
EP-3286187-B1 PESTICIDALLY ACTIVE POLYCYCLIC DERIVATIVES WITH SULFUR SUBSTITUTED FIVE-MEMBERED RING HETEROCYLES SYNGENTA PARTICIPATIONS AG (CH) 2019-09-18 EP disclosed
US-10125139-B2 Pesticidally active polycyclic derivatives with sulfur substituted five-membered ring heterocycles SYNGENTA CROP PROTECTION AG (CH) 2018-11-13 US disclosed
US-10104893-B2 Pesticidally active polycyclic derivatives with sulfur substituted five membered ring heterocyles SYNGENTA PARTICIPATIONS AG (CH) 2018-10-23 US disclosed
US-20180110226-A1 PESTICIDALLY ACTIVE POLYCYCLIC DERIVATIVES WITH SULFUR SUBSTITUTED FIVE MEMBERED RING HETEROCYLES SYNGENTA PARTICIPATIONS AG (CH) 2018-04-26 US disclosed
US-20180099970-A1 PESTICIDALLY ACTIVE POLYCYCLIC DERIVATIVES WITH SULFUR SUBSTITUTED FIVE-MEMBERED RING HETEROCYLES SYNGENTA PARTICIPATIONS AG (CH) 2018-04-12 US disclosed
US-20180099970-A1 PESTICIDALLY ACTIVE POLYCYCLIC DERIVATIVES WITH SULFUR SUBSTITUTED FIVE-MEMBERED RING HETEROCYLES SYNGENTA PARTICIPATIONS AG (CH) 2018-04-12 US disclosed
US-20180099970-A1 PESTICIDALLY ACTIVE POLYCYCLIC DERIVATIVES WITH SULFUR SUBSTITUTED FIVE-MEMBERED RING HETEROCYLES SYNGENTA PARTICIPATIONS AG (CH) 2018-04-12 US disclosed
EP-3286186-A1 PESTICIDALLY ACTIVE POLYCYCLIC DERIVATIVES WITH SULFUR SUBSTITUTED FIVE MEMBERED RING HETEROCYLES Syngenta Participations AG (CH) 2018-02-28 EP disclosed
EP-3286187-A1 PESTICIDALLY ACTIVE POLYCYCLIC DERIVATIVES WITH SULFUR SUBSTITUTED FIVE-MEMBERED RING HETEROCYLES Syngenta Participations AG (CH) 2018-02-28 EP disclosed
WO-2016169886-A1 PESTICIDALLY ACTIVE POLYCYCLIC DERIVATIVES WITH SULFUR SUBSTITUTED FIVE-MEMBERED RING HETEROCYLES SYNGENTA CROP PROTECTION AG (CH) 2016-10-27 WO disclosed
WO-2016169886-A1 PESTICIDALLY ACTIVE POLYCYCLIC DERIVATIVES WITH SULFUR SUBSTITUTED FIVE-MEMBERED RING HETEROCYLES SYNGENTA CROP PROTECTION AG (CH) 2016-10-27 WO disclosed
WO-2016169882-A1 PESTICIDALLY ACTIVE POLYCYCLIC DERIVATIVES WITH SULFUR SUBSTITUTED FIVE MEMBERED RING HETEROCYLES SYNGENTA PARTICIPATIONS AG (CH) 2016-10-27 WO disclosed
WO-2016169882-A1 PESTICIDALLY ACTIVE POLYCYCLIC DERIVATIVES WITH SULFUR SUBSTITUTED FIVE MEMBERED RING HETEROCYLES SYNGENTA PARTICIPATIONS AG (CH) 2016-10-27 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-20180110226-A1 PESTICIDALLY ACTIVE POLYCYCLIC DERIVATIVES WITH SULFUR SUBSTITUTED FIVE MEMBERED RING HETEROCYLES SQOR, DDT, QSOX1 ALDH1A1 1226/4885CYP1A2 44/4885GAA 3999/4885
US-20180099970-A1 PESTICIDALLY ACTIVE POLYCYCLIC DERIVATIVES WITH SULFUR SUBSTITUTED FIVE-MEMBERED RING HETEROCYLES DDT, NIT2, SQOR ALDH1A1 1590/4885CYP1A2 42/4885GAA 4171/4885
US-10104893-B2 Pesticidally active polycyclic derivatives with sulfur substituted five membered ring heterocyles SQOR, DDT, QSOX1 ALDH1A1 1226/4885CYP1A2 44/4885GAA 3999/4885
US-10125139-B2 Pesticidally active polycyclic derivatives with sulfur substituted five-membered ring heterocycles DDT, SQOR, NIT2 ALDH1A1 1357/4885CYP1A2 116/4885GAA 4219/4885

“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.