SCHEMBL12807

SCHEMBL12807

Cc1ccc(S(C)(=O)=O)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.65
PTGS2 P35354 8/20 0.63
CA1 P00915 2/20 0.59
CA2 P00918 2/20 0.59
CA12 O43570 1/20 0.59
CA3 P07451 1/20 0.59
CA6 P23280 1/20 0.59
CA5A P35218 1/20 0.59
CA7 P43166 1/20 0.59
CA9 Q16790 1/20 0.59
CA5B Q9Y2D0 1/20 0.59
ENPP2 Q13822 1/20 0.59
PTGS1 P23219 1/20 0.57
TLR9 Q9NR96 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.54
MMP1 P03956 1/20 0.52
MMP2 P08253 1/20 0.52
MMP9 P14780 1/20 0.52
MMP8 P22894 1/20 0.52
MMP13 P45452 1/20 0.52

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
SCHEMBL28182477 1.00 GAA (0.65) GAAPTGS2CA1CA2CA12
Water SCHEMBL17653839 0.97 GAA (0.62) GAAPTGS2CA1CA2CA12
Iodide SCHEMBL10338838 0.97 GAA (0.62) GAAPTGS2CA1CA2CA12
SCHEMBL10016731 0.92 GAA (0.80) GAAPTGS2CA1CA2CA12
SCHEMBL8780038 0.92 PTGS2 (0.57) GAAPTGS2CA1CA2CA12
Sulfuric Acid SCHEMBL28578440 0.92 ENPP2 (0.58) GAAPTGS2CA1CA2CA12
SCHEMBL15908263 0.92 GAA (0.80) GAAPTGS2CA1CA2CA12
SCHEMBL27826303 0.92 PTGS2 (0.57) GAAPTGS2CA1CA2CA12
SCHEMBL12341698 0.92 PTGS2 (0.68) GAAPTGS2PTGS1
Methylene Chloride SCHEMBL28523413 0.90 PTGS2 (0.55) GAAPTGS2CA1CA2CA12

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

Appears in 5646 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119930484-A Synthesis method of 4-methylsulfonyl toluene derivative 辽宁龙田化工科技有限公司 2025-05-06 CN claimed
CN-119390620-A Synthesis method of p-methylsulfonyl toluene 山东产研高性能材料技术研究院有限公司 2025-02-07 CN claimed
CN-118851959-A Preparation method of p-methylsulfonyl benzaldehyde 江苏八巨药业有限公司 2024-10-29 CN claimed
WO-2024214891-A1 COMPOSITION FOR CONTROLLING PATHOGENS CAUSING PLANT DISEASES INCLUDING FIRE BLIGHT CONTAINING ORGANIC IODINE OR ORGANIC IODINE AND SULFUR AS ACTIVE INGREDIENTS 주식회사 엘에프에프 2024-10-17 WO claimed
CN-107827790-B Synthesis method of 1-methyl-4-methylsulfonyl benzene 浙江嘉化新材料有限公司 2024-07-02 CN claimed
CN-118136828-A Synergistic regulation and control method for cathode and anode ion states on surface of high nickel oxide cathode 北京科技大学 2024-06-04 CN claimed
CN-115819297-B Preparation method of 2-nitro-4-methylsulfonyl benzoic acid 南京先进生物材料与过程装备研究院有限公司 2024-03-29 CN claimed
CN-117720444-A Synthesis method of 4-methylsulfonyl toluene 江苏优嘉植物保护有限公司 2024-03-19 CN claimed
CN-117624220-A Silane coupling agent and preparation method and application thereof 广州集泰化工股份有限公司 2024-03-01 CN claimed
CN-117185970-A Method for continuously preparing 2-nitro-4-methylsulfonyl toluene 北京颖泰嘉和生物科技股份有限公司 2023-12-08 CN claimed
US-5475142-A Process for preparing alkyl-(3-chlorophenyl)-sulphones BAYER AKTIENGESELLSCHAFT (DE) 1995-12-12 US claimed
US-5424481-A Preparation of methylsulfonylbenzoic acids BASF AKTIENGESELLSCHAFT (DE) 1995-06-13 US claimed
EP-0639561-A1 Process for the production of Alkyl-(3-chlorophenyl) sulfones BAYER AG (DE) 1995-02-22 EP claimed
EP-0333661-B1 Process for the preparation of a pyrole derivative CIBA GEIGY AG (CH) 1994-04-27 EP claimed
US-5300143-A Water soluble dye, sulfone, and amide or cyclic amine XEROX CORPORATION (US) 1994-04-05 US claimed
EP-0280610-B1 DIPEPTIDES, PREPARATION PROCESS AND USE IN DOSING PROTEASES SERBIO (FR) 1992-10-21 EP claimed
WO-1991007380-A1 ARTHROPODICIDES DUNLENA PTY. LTD. (AU) 1991-05-30 WO claimed
EP-0404721-A2 Microbicides CIBA-GEIGY AG (CH) 1990-12-27 EP claimed
EP-0378046-A1 Process for the preparation of 3-phenyl-pyrrole derivatives CIBA-GEIGY AG (CH) 1990-07-18 EP claimed
EP-0184809-B1 IMIDAZOLYLALKOXYINDANIC DERIVATIVES, A PROCESS FOR PREPARING THEM AND PHARMACEUTICAL COMPOSITION CONTAINING THEM FERRER INTERNACIONAL, S.A. (ES) 1989-08-02 EP claimed