SCHEMBL8621565

SCHEMBL8621565

O=c1c2ccccc2sn1C1CCCCC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MPI P34949 3/20 0.57
CASP3 P42574 5/20 0.47
G6PD P11413 2/20 0.47
PHOSPHO1 Q8TCT1 3/20 0.45
APOBEC3G Q9HC16 3/20 0.45
HPGD P15428 2/20 0.45
PMM2 O15305 2/20 0.45
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
HSP90AA1 P07900 1/20 0.45
MAPT P10636 1/20 0.45
PKM P14618 1/20 0.45
ALOX12 P18054 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
CDK4 P11802 1/20 0.44
GAA P10253 2/20 0.42
ALOX15 P16050 2/20 0.42
RAB9A P51151 2/20 0.42
NPC1 O15118 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
SCHEMBL21033019 0.98 MPI (0.58) MPICASP3G6PDPHOSPHO1APOBEC3G
SCHEMBL30434260 0.91 CASP3 (0.52) MPICASP3G6PDPHOSPHO1APOBEC3G
SCHEMBL28457777 0.91 CASP3 (0.52) MPICASP3G6PDPHOSPHO1APOBEC3G
SCHEMBL21033021 0.84 CASP3 (0.45) MPICASP3G6PDPHOSPHO1APOBEC3G
SCHEMBL21033024 0.84 CASP3 (0.45) MPICASP3G6PDPHOSPHO1APOBEC3G
SCHEMBL11533924 0.81 CASP3 (0.46) MPICASP3G6PDHPGDGAA
SCHEMBL8625827 0.77 HPGD (0.63) HPGDKDM4EALDH1A1MAPTNPSR1
SCHEMBL787281 0.76 MPI (0.64) MPICDK4GAA
SCHEMBL30122754 0.73 CASP3 (0.51) MPICASP3G6PDPHOSPHO1APOBEC3G
SCHEMBL24766683 0.73 CASP3 (0.55) CASP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-8277278-A None JP disclosed
CN-111253335-B New synthetic method of N-substituted benzisothiazolin-3-one derivative 浙江扬帆新材料股份有限公司 2023-06-06 CN disclosed
CN-111574472-B Synthesis method of 1, 2-benzisothiazolin-3-ketone compound 大连百傲化学股份有限公司 2022-03-08 CN disclosed
US-11053236-B2 Substituted isoselenazolone anti-infective, anti-inflammatory, anti-cancer, cytoprotective, neuroprotective, and anti-oxidant agents THE UNIVERSITY OF TOLEDO (US) 2021-07-06 US disclosed
CN-111574472-A Synthesis method of 1, 2-benzisothiazolin-3-ketone compound 大连百傲化学股份有限公司 2020-08-25 CN disclosed
CN-111253335-A Novel synthesis method of N-substituted benzisothiazolin-3-one derivative 浙江扬帆新材料股份有限公司 2020-06-09 CN disclosed
WO-2019174279-A1 1,2-BENZISOSELENAZOL-3(2H)-ONE AND 1,2-BENZISOTHIAZOL-3(2H)-ONE DERIVATIVES AS BETA-LACTAM ANTIBIOTIC ADJUVANTS THE HONG KONG POLYTECHNIC UNIVERSITY (CN) 2019-09-19 WO disclosed
US-20190161482-A1 SUBSTITUTED ISOSELENAZOLONE ANTI-INFECTIVE, ANTI-INFLAMMATORY, ANTI-CANCER, CYTOPROTECTIVE, NEUROPROTECTIVE, AND ANTI-OXIDANT AGENTS THE UNIVERSITY OF TOLEDO (US) 2019-05-30 US disclosed
US-5744609-A REACTING AN ALKYLTHIOBENZAMIDE WITH A HALOGEN IN A HETEROGENOUS SOLVENT TO GIVE ALKYLSULFURYLBENZAMIDES INTERMEDIATES; USEFUL ANTIBACTERIAL AND ANTIFUNGAL AGENT SUMITOMO SEIKA CHEMICALS CO., LTD. (JP) 1998-04-28 US disclosed
US-5672751-A TREATMENT OF A HALOBENZAMIDE WITH AN ALKANETHIOL IN THE PRESENCE OF A PHASE TRANSFER CATALYST SUMITOMO SEIKA CHEMICALS CO., LTD. (JP) 1997-09-30 US disclosed
EP-0657438-B1 Method for producing 1,2-benzisothiazol-3-ones SUMITOMO SEIKA CHEMICALS (JP) 1997-07-30 EP disclosed
EP-0751123-A2 Method for producing alkylsulfinylbenzamides SUMITOMO SEIKA CHEMICALS CO., LTD. (JP) 1997-01-02 EP disclosed
JP-H08277278-A PRODUCTION OF 1,2-BENZISOTHIAZOLES SUMITOMO SEIKA CHEM CO LTD 1996-10-22 JP disclosed
US-5508416-A HALOGENATING A 2-(ALKYLTHIO)BENZAMIDE, CYCLIZATION TO HETERO RING AND N-S LINKAGE SUMITOMO SEIKA CHEMICALS CO., LTD. (JP) 1996-04-16 US disclosed
EP-0657438-A2 Method for producing alkylsulfinylbenzamides and 1,2-benzisothiazol-3-ones SUMITOMO SEIKA CHEMICALS CO., LTD. (JP) 1995-06-14 EP disclosed
EP-0018100-B1 SUBSTITUTED AROMATIC BIOLOGICALLY ACTIVE COMPOUND, A PROCESS FOR ITS PREPARATION AND ITS USE AS BIOCIDE IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1984-01-18 EP disclosed
EP-0018100-A2 Substituted aromatic biologically active compound, a process for its preparation and its use as biocide IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1980-10-29 EP disclosed
US-4093730-A Methods of using spermicidal vaginal compositions comprising 1,2-benzisothiazole derivatives PREPHAR PROSPECTION DE RECHERCHES PHARMACEUTIQUES S.A. (CH) 1978-06-06 US 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 (2 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-11053236-B2 Substituted isoselenazolone anti-infective, anti-inflammatory, anti-cancer, cytoprotective, neuroprotective, and anti-oxidant agents AIFM1, HSPE1, COX15 MPI 1957/4885CASP3 10/4885G6PD 852/4885
US-20190161482-A1 SUBSTITUTED ISOSELENAZOLONE ANTI-INFECTIVE, ANTI-INFLAMMATORY, ANTI-CANCER, CYTOPROTECTIVE, NEUROPROTECTIVE, AND ANTI-OXIDANT AGENTS AIFM1, HSPE1, COX15 MPI 1957/4885CASP3 10/4885G6PD 852/4885

“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.