SCHEMBL9748006

SCHEMBL9748006

CCSc1scnc1C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.42
PKM P14618 1/20 0.39
HSD17B10 Q99714 4/20 0.36
TDP1 Q9NUW8 3/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
HKDC1 Q2TB90 1/20 0.34
GRIA4 P48058 1/20 0.32
DAO P14920 2/20 0.32
ALDH1A1 P00352 2/20 0.31
HPGD P15428 1/20 0.31
MAPK1 P28482 1/20 0.31
TP53 P04637 1/20 0.31

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
Hydrochloric Acid SCHEMBL16593684 0.98 KDM4E (0.41) KDM4EPKMHSD17B10TDP1L3MBTL1
SCHEMBL16604856 0.86 HSD17B10 (0.36) KDM4EPKMHSD17B10L3MBTL1ALDH1A1
SCHEMBL10688331 0.82 CYP1A2 (0.43) KDM4EPKMHSD17B10L3MBTL1ALDH1A1
SCHEMBL10690505 0.81 NPSR1 (0.38) KDM4EHSD17B10L3MBTL1NPC1RAB9A
SCHEMBL16345888 0.80 KDM4E (0.39) KDM4EPKMHSD17B10NPC1RAB9A
SCHEMBL10685904 0.79 APEX1 (0.43) KDM4EHSD17B10TDP1L3MBTL1ALDH1A1
SCHEMBL10360145 0.79 KDM4E (0.48) KDM4EPKMHSD17B10TDP1L3MBTL1
SCHEMBL9627261 0.78 KDM4E (0.43) KDM4ETDP1L3MBTL1NPC1RAB9A
SCHEMBL10692166 0.77 ALDH1A1 (0.44) KDM4EPKMALDH1A1
SCHEMBL9852499 0.77 KMT2A (0.40) KDM4EHSD17B10TDP1RAB9AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220104496-A1 PESTICIDALLY ACTIVE BI- OR TRICYCLIC HETEROCYCLES WITH SULFUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2022-04-07 US disclosed
US-11229208-B2 Pesticidally active bi- or tricyclic heterocycles with sulfur containing substituents SYNGENTA PARTICIPATIONS AG (CH) 2022-01-25 US disclosed
US-11229208-B2 Pesticidally active bi- or tricyclic heterocycles with sulfur containing substituents SYNGENTA PARTICIPATIONS AG (CH) 2022-01-25 US disclosed
US-10939682-B2 Pesticidally active bi- or tricyclic heterocycles with sulfur containing substituents SYNGENTA PARTICIPATIONS AG (CH) 2021-03-09 US disclosed
US-10939682-B2 Pesticidally active bi- or tricyclic heterocycles with sulfur containing substituents SYNGENTA PARTICIPATIONS AG (CH) 2021-03-09 US disclosed
EP-3778599-A2 PESTICIDALLY ACTIVE BI- OR TRICYCLIC HETEROCYCLES WITH SULFUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2021-02-17 EP disclosed
EP-3778599-A2 PESTICIDALLY ACTIVE BI- OR TRICYCLIC HETEROCYCLES WITH SULFUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2021-02-17 EP disclosed
EP-3778598-A2 PESTICIDALLY ACTIVE BI- OR TRICYCLIC HETEROCYCLES WITH SULFUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2021-02-17 EP disclosed
EP-3778598-A2 PESTICIDALLY ACTIVE BI- OR TRICYCLIC HETEROCYCLES WITH SULFUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2021-02-17 EP disclosed
US-20210037827-A1 PESTICIDALLY ACTIVE BI- OR TRICYCLIC HETEROCYCLES WITH SULFUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2021-02-11 US disclosed
CN-105431433-A Pesticidally active bicyclic or tricyclic heterocycles with sulfur-containing substituents SYNGENTA PARTICIPATIONS AG 2016-03-23 CN disclosed
US-9120792-B2 Fused heterocyclic compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-09-01 US disclosed
US-9120792-B2 Fused heterocyclic compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-09-01 US disclosed
US-20150094329-A1 FUSED HETEROCYCLIC COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-04-02 US disclosed
US-20150094329-A1 FUSED HETEROCYCLIC COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-04-02 US disclosed
WO-2015000715-A1 PESTICIDALLY ACTIVE BI- OR TRICYCLIC HETEROCYCLES WITH SULFUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2015-01-08 WO disclosed
WO-2015000715-A1 PESTICIDALLY ACTIVE BI- OR TRICYCLIC HETEROCYCLES WITH SULFUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2015-01-08 WO disclosed
EP-0194572-B1 HETEROCYCLIC SULFIDES, PROCESS FOR THEIR PREPARATION AND MEDICAMENTS CONTAINING THEM HOECHST AKTIENGESELLSCHAFT (DE) 1992-01-02 EP disclosed
US-4762848-A IMMUNE SYSTEM STIMULANTS, CYTOSTATIC AGENTS HOECHST AKTIENGESELLSCHAFT (DE) 1988-08-09 US disclosed
EP-0194572-A1 Heterocyclic sulfides, process for their preparation and Medicaments containing them HOECHST AKTIENGESELLSCHAFT (DE) 1986-09-17 EP 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 (5 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-20220104496-A1 PESTICIDALLY ACTIVE BI- OR TRICYCLIC HETEROCYCLES WITH SULFUR CONTAINING SUBSTITUENTS GSTA1, CYP1B1, DDT KDM4E 3562/4885PKM 1743/4885HSD17B10 884/4885
US-20210037827-A1 PESTICIDALLY ACTIVE BI- OR TRICYCLIC HETEROCYCLES WITH SULFUR CONTAINING SUBSTITUENTS GSTA1, CYP1B1, DDT KDM4E 3562/4885PKM 1743/4885HSD17B10 884/4885
US-10939682-B2 Pesticidally active bi- or tricyclic heterocycles with sulfur containing substituents DDT, TST, SCLY KDM4E 3403/4885PKM 583/4885HSD17B10 1806/4885
US-11229208-B2 Pesticidally active bi- or tricyclic heterocycles with sulfur containing substituents GSTA1, CYP1B1, DDT KDM4E 3562/4885PKM 1743/4885HSD17B10 884/4885
US-20150094329-A1 FUSED HETEROCYCLIC COMPOUND CYC1, H1-0, H1-3 KDM4E 3132/4885PKM 3331/4885HSD17B10 723/4885

“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.