SCHEMBL776895

SCHEMBL776895

O=S(=O)(c1ccccc1)C1CCCCC1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.55
HTR2A P28223 4/20 0.54
KCNH2 Q12809 3/20 0.51
HTR2C P28335 2/20 0.51
ALDH1A1 P00352 6/20 0.50
KDM4E B2RXH2 1/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
MMP8 P22894 2/20 0.47
MMP13 P45452 2/20 0.47
MMP1 P03956 1/20 0.47
ACHE P22303 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HTR6 P50406 1/20 0.42
DRD2 P14416 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
SCHEMBL777971 0.98 MAPT (0.56) MAPTHTR2AKCNH2HTR2CALDH1A1
SCHEMBL7541817 0.93 HTR2A (0.56) MAPTHTR2AKCNH2HTR2CALDH1A1
SCHEMBL21615770 0.89 HTR2A (0.46) MAPTHTR2AKCNH2HTR2CALDH1A1
SCHEMBL2048495 0.89 HTR2A (0.59) MAPTHTR2AKCNH2HTR2CALDH1A1
SCHEMBL25432674 0.88 ALDH1A1 (0.47) MAPTHTR2AKCNH2HTR2CALDH1A1
SCHEMBL21795337 0.85 MMP8 (0.44) MAPTHTR2AKCNH2HTR2CALDH1A1
SCHEMBL21615541 0.84 MMP8 (0.43) MAPTHTR2AKCNH2HTR2CALDH1A1
SCHEMBL702657 0.84 MMP8 (0.69) MAPTHTR2AKCNH2HTR2CALDH1A1
SCHEMBL794908 0.84 MMP8 (0.43) MAPTHTR2AKCNH2HTR2CALDH1A1
SCHEMBL10797246 0.81 HTR2A (0.46) MAPTHTR2AKCNH2HTR2CALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-61231009-A None JP disclosed
EP-4256347-B1 DETECTION OF AN ANALYTE OF INTEREST BY CROSS SPRAY ESI MASS SPECTROMETRY HOFFMANN LA ROCHE (CH) 2025-07-16 EP disclosed
US-12100809-B2 Non-aqueous liquid electrolyte and non-aqueous liquid electrolyte secondary battery MITSUBISHI CHEMICAL CORPORATION (JP) 2024-09-24 US disclosed
US-11814348-B2 Oxidizing liquid media for chemical transformations UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2023-11-14 US disclosed
EP-4256347-A1 DETECTION OF AN ANALYTE OF INTEREST BY CROSS SPRAY ESI MASS SPECTROMETRY F. Hoffmann-La Roche AG (CH) 2023-10-11 EP disclosed
US-20230314444-A1 DETECTION OF AN ANALYTE OF INTEREST BY CROSS SPRAY ESI MASS SPECTROMETRY ROCHE DIAGNOSTICS OPERATIONS, INC. 2023-10-05 US disclosed
CN-116710783-A Detection of target analytes by cross-spray ESI mass spectrometry 豪夫迈·罗氏有限公司 2023-09-05 CN disclosed
US-11396492-B2 Direct oxidative amination of hydrocarbons UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2022-07-26 US disclosed
WO-2022117604-A1 DETECTION OF AN ANALYTE OF INTEREST BY CROSS SPRAY ESI MASS SPECTROMETRY F. HOFFMANN-LA ROCHE AG (CH) 2022-06-09 WO disclosed
US-20220149436-A1 NON-AQUEOUS LIQUID ELECTROLYTE AND NON-AQUEOUS LIQUID ELECTROLYTE SECONDARY BATTERY MITSUBISHI CHEMICAL CORPORATION (JP) 2022-05-12 US disclosed
US-5948838-A 0.01 TO 5 PARTS BY WEIGHT OF A COMPOUND CONTAINING OXYMETHYLENE UNIT MITSUBISHI ENGINEERING-PLASTICS CORP. (JP) 1999-09-07 US disclosed
WO-1999008987-A1 CYCLOHEXENONE LONG-CHAIN ALCOHOL AND MEDICAMENT CONTAINING SAME MEIJI MILK PRODUCTS CO., LTD. (JP) 1999-02-25 WO disclosed
EP-0794218-A2 Polycarbonate resin composition stabilized against radiation MITSUBISHI ENGINEERING-PLASTICS CORPORATION (JP) 1997-09-10 EP disclosed
EP-0753540-A2 Polycarbonate resin composition MITSUBISHI ENGINEERING-PLASTICS CORPORATION (JP) 1997-01-15 EP disclosed
US-5372914-A Pattern forming method KABUSHIKI KAISHA TOSHIBA (JP) 1994-12-13 US disclosed
US-5348838-A Photoresist KABUSHIKI KAISHA TOSHIBA (JP) 1994-09-20 US disclosed
US-4873278-A Inhibition of irradiation yellowing in polysulfone compositions GENERAL ELECTRIC COMPANY (US) 1989-10-10 US disclosed
EP-0335758-A2 Derivatives of 1-arylsulfonyl-2-pyrolidinone, process for their preparation, their use as medicaments and compositions containing them ROUSSEL-UCLAF (FR) 1989-10-04 EP disclosed
EP-0142322-B1 CYCLOHEXANE DERIVATIVES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1988-03-09 EP disclosed
JP-S61231009-A PRODUCTION OF OLEFIN POLYMER MITSUBISHI PETROCHEM CO LTD 1986-10-15 JP 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-11396492-B2 Direct oxidative amination of hydrocarbons GPX4, AOC2, NOX1 MAPT 3348/4885HTR2A 2069/4885KCNH2 2085/4885
US-11814348-B2 Oxidizing liquid media for chemical transformations HAO2, LPO, DUOX1 MAPT 3739/4885HTR2A 2010/4885KCNH2 3200/4885

“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.