SCHEMBL18171986

SCHEMBL18171986

CCSc1sc(Br)nc1C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.36
ALDH1A1 P00352 3/20 0.33
GRIA4 P48058 1/20 0.32
NPC1 O15118 3/20 0.32
RAB9A P51151 3/20 0.32
SMN1; SMN2 Q16637 3/20 0.32
MEN1 O00255 1/20 0.32
HPGD P15428 1/20 0.32
KMT2A Q03164 1/20 0.32
HCAR2 Q8TDS4 1/20 0.32
COPS5 Q92905 1/20 0.31
TP53 P04637 1/20 0.31
TSHR P16473 1/20 0.31
HAO1 Q9UJM8 1/20 0.30
FBP1 P09467 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
SCHEMBL18173844 0.84 HSD17B10 (0.35) HSD17B10ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL18171984 0.80 ALDH1A1 (0.45) HSD17B10ALDH1A1SMN1; SMN2MEN1HPGD
SCHEMBL1548680 0.72 COPS5 (0.40) ALDH1A1NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL18173855 0.71 KDM4E (0.51) ALDH1A1NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL18173837 0.71 HSD17B10 (0.36) HSD17B10ALDH1A1GRIA4NPC1RAB9A
Hydrochloric Acid SCHEMBL28483071 0.70 HSD17B10 (0.35) HSD17B10ALDH1A1GRIA4NPC1RAB9A
SCHEMBL560676 0.69 PTGER1 (0.38) ALDH1A1NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL9748006 0.68 KDM4E (0.42) HSD17B10ALDH1A1GRIA4NPC1RAB9A
SCHEMBL3394882 0.68 HCAR3 (0.33) ALDH1A1NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL30440870 0.68 ALDH1A1 (0.34) ALDH1A1SMN1; SMN2HPGDCOPS5TSHR

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 24 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-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
CN-107531704-A Five-membered ring heterocycle with sulphur substitution kills harmful organism activity Polycyclic derivative 先正达参股股份有限公司 2018-01-02 CN 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
WO-2016169886-A1 PESTICIDALLY ACTIVE POLYCYCLIC DERIVATIVES WITH SULFUR SUBSTITUTED FIVE-MEMBERED RING HETEROCYLES SYNGENTA CROP PROTECTION 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 (3 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-20180099970-A1 PESTICIDALLY ACTIVE POLYCYCLIC DERIVATIVES WITH SULFUR SUBSTITUTED FIVE-MEMBERED RING HETEROCYLES DDT, NIT2, SQOR HSD17B10 2192/4885ALDH1A1 1590/4885GRIA4 2829/4885
US-10104893-B2 Pesticidally active polycyclic derivatives with sulfur substituted five membered ring heterocyles SQOR, DDT, QSOX1 HSD17B10 2324/4885ALDH1A1 1226/4885GRIA4 3057/4885
US-10125139-B2 Pesticidally active polycyclic derivatives with sulfur substituted five-membered ring heterocycles DDT, SQOR, NIT2 HSD17B10 2751/4885ALDH1A1 1357/4885GRIA4 2440/4885

“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.