SCHEMBL8400694

SCHEMBL8400694

CCCCSc1ccccc1C#N

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 3/20 0.50
PTGS2 P35354 6/20 0.47
MAPT P10636 2/20 0.44
THRB P10828 1/20 0.44
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
TSHR P16473 4/20 0.42
TLR8 Q9NR97 1/20 0.42
ALDH1A1 P00352 3/20 0.40
HSD17B10 Q99714 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
ALOX15 P16050 1/20 0.40
MAPK1 P28482 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
GAA P10253 1/20 0.39

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
SCHEMBL29601087 1.00 AR (0.50) ARPTGS2MAPTTHRBCYP1A2
SCHEMBL8519336 0.95 PTGS2 (0.48) ARPTGS2MAPTTHRBCYP1A2
SCHEMBL2980868 0.93 PTGS2 (0.49) ARPTGS2CYP1A2CYP3A4CYP2C9
SCHEMBL5983793 0.93 PTGS2 (0.49) ARPTGS2CYP1A2CYP3A4CYP2C9
SCHEMBL6230783 0.89 AR (0.47) ARPTGS2MAPTCYP1A2CYP3A4
SCHEMBL27652067 0.85 AR (0.44) ARPTGS2MAPTTHRBTSHR
SCHEMBL28024924 0.83 AR (0.52) ARPTGS2MAPTTHRBTSHR
SCHEMBL4599675 0.81 AR (0.50) ARMAPTCYP1A2CYP3A4CYP2C9
SCHEMBL8672850 0.80 PTGS2 (0.59) PTGS2MAPTTLR8ALDH1A1L3MBTL1
SCHEMBL27613330 0.80 MEN1 (0.42) ARPTGS2MAPTTHRBTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12630518-B2 Process for preparing 1,2-benzisothiazoline-3-one THOR GMBH (DE) 2026-05-19 US disclosed
US-20240076276-A1 Process for Preparing 1,2-Benzisothiazoline-3-One THOR GMBH (DE) 2024-03-07 US disclosed
EP-4237407-A1 PROCESS FOR PREPARING 1,2-BENZISOTHIAZOLINE-3-ONE THOR GmbH (DE) 2023-09-06 EP disclosed
CN-116457337-A Method for preparing 1, 2-benzisothiazolin-3-one 托尔有限公司 2023-07-18 CN disclosed
WO-2022089774-A1 PROCESS FOR PREPARING 1,2-BENZISOTHIAZOLINE-3-ONE THOR GMBH (DE) 2022-05-05 WO disclosed
CN-108218777-A A kind of sulphur substituted phenyl pyrazole class XOR inhibitor and preparation and application 华南理工大学 2018-06-29 CN disclosed
CN-1187346-C Cyanothiophenyl balogen and preparation of 3-substituted benzoisothiazole therefrom SUMITOMO SEIKA K K (JP) 2005-02-02 CN disclosed
CN-1289770-A Cyanothiophenyl balogen and preparation of 3-substituted benzoisothiazole therefrom SUMITOMO SEIKA K K (JP) 2001-04-04 CN disclosed
CN-1061975-C Cyanothiophenyl halide and process for producing the same SUMITOMO SEIKA CHEMICALS (JP) 2001-02-14 CN disclosed
EP-0741129-B1 Cyanobenzenesulfenyl halide and process for preparation of 3-substituted benzisothiazole using it SUMITOMO SEIKA CHEMICALS (JP) 1999-06-09 EP disclosed
US-5756806-A Cyanobenzenesulfenyl halide and process for preparation of 3-substituted benzisothiazole using the same SUMITOMO SEIKA CHEMICALS CO., LTD. (JP) 1998-05-26 US disclosed
US-5679827-A Cyanobenzenesulfenyl halide and process for preparation of 3-substituted benzisothiazole using the same SUMITOMO SEIKA CHEMICALS CO., LTD. (JP) 1997-10-21 US disclosed
CN-1138032-A Cyanothiophenyl halides and process for preparing 3-substituted benzisothiazoles using same SUMITOMO SEIKA CHEMICALS (JP) 1996-12-18 CN disclosed
EP-0741129-A2 Cyanobenzenesulfenyl halide and process for preparation of 3-substituted benzisothiazole using it SUMITOMO SEIKA CHEMICALS CO., LTD. (JP) 1996-11-06 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 (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-12630518-B2 Process for preparing 1,2-benzisothiazoline-3-one CBR1, SULT1A1, ARSA AR 3135/4885PTGS2 2908/4885MAPT 4855/4885
US-20240076276-A1 Process for Preparing 1,2-Benzisothiazoline-3-One ARSA, AOX1, SULT1A1 AR 1930/4885PTGS2 3476/4885MAPT 4543/4885

“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.