SCHEMBL4201541

SCHEMBL4201541

CS(=O)(=O)c1ccc(-c2cccs2)cc1

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SCD O00767 1/20 0.58
PTGS2 P35354 14/20 0.56
CA12 O43570 1/20 0.51
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
MMP2 P08253 1/20 0.51
CA9 Q16790 1/20 0.51
CA14 Q9ULX7 1/20 0.51
LTA4H P09960 1/20 0.48
LPL P06858 1/20 0.44
LIPG Q9Y5X9 1/20 0.44

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
SCHEMBL28846692 0.84 SCD (0.54) SCDPTGS2CA12CA1CA2
SCHEMBL6512552 0.82 PTGS2 (0.69) PTGS2
SCHEMBL5052625 0.81 LTA4H (0.50) SCDPTGS2CA12CA1CA2
SCHEMBL7058218 0.81 CA2 (0.51) SCDPTGS2CA12CA1CA2
SCHEMBL13742923 0.81 CA2 (0.61) PTGS2CA12CA1CA2MMP2
SCHEMBL4804285 0.81 CA2 (0.55) SCDPTGS2CA12CA1CA2
SCHEMBL4796613 0.81 CA2 (0.51) SCDPTGS2CA12CA1CA2
SCHEMBL6513622 0.81 PTGS2 (0.67) SCDPTGS2
SCHEMBL6512795 0.81 PTGS2 (0.45) SCDPTGS2CA12CA1CA2
SCHEMBL6512790 0.81 PTGS2 (0.45) SCDPTGS2CA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106957431-B Process for producing polyarylene sulfide 财团法人工业技术研究院 2019-06-07 CN claimed
CN-106957431-A Process for producing polyarylene sulfide 财团法人工业技术研究院 2017-07-18 CN claimed
CN-106957431-B Process for producing polyarylene sulfide 财团法人工业技术研究院 2019-06-07 CN disclosed
CN-107428938-A Polyarylene sulfide resin and method for producing same, and poly (arylsulfonium salt) and method for producing same DIC株式会社 2017-12-01 CN disclosed
CN-105492499-B Polyarylene sulfide resin, process for producing the same, and molded article DIC株式会社 2017-08-08 CN disclosed
CN-106986803-A Cationic sulfoxide intermediate, polyarylene sulfide monomer and preparation method of polyarylene sulfide 财团法人工业技术研究院 2017-07-28 CN disclosed
CN-106957431-A Process for producing polyarylene sulfide 财团法人工业技术研究院 2017-07-18 CN disclosed
CN-105492499-A Polyarylene sulfide resin, process for producing the same, and molded article DAINIPPON INK & CHEMICALS 2016-04-13 CN disclosed
US-8476225-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2013-07-02 US disclosed
US-7482456-B2 antiasthmatic; antiinflammatory; minimal side effects; 8-(3-{2-(3-chlorophenyl)-4-[4-(methylsulfonyl)phenyl]-1,3-thiazol-5-yl}phenyl)-6-[1-methyl-1-(methylsulfonyl)ethyl]quinoline; 2-[5-(3-{6-[1-methyl-1-(methylsulfonyl)ethyl]quinolin-8-yl}phenyl)-4-pyridin-3-yl-1,3-thiazol-2-yl]propan-2-ol MERCK FROSST CANADA 2009-01-27 US disclosed
US-20060223850-A1 8-(3-Biaryl)phenylquinoline phosphodiesterase-4 inhibitors MERCK FROSST CANADA & CO. (CA) 2006-10-05 US disclosed
US-20030013744-A1 3,4-diaryl thiophenes and analogs thereof having use as anti-inflammatory agents G.D. SEARLE & CO. (US) 2003-01-16 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-20030013744-A1 3,4-diaryl thiophenes and analogs thereof having use as anti-inflammatory agents NR3C1, FPR1, IL1B SCD 829/4885PTGS2 151/4885CA12 4657/4885
US-20060223850-A1 8-(3-Biaryl)phenylquinoline phosphodiesterase-4 inhibitors PDE4A, PDE4B, PDE3B SCD 2921/4885PTGS2 526/4885CA12 4678/4885

“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.