SCHEMBL777549

SCHEMBL777549

Cc1ccccc1OS(=O)(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC22A6 Q4U2R8 1/20 0.46
ALDH1A1 P00352 2/20 0.44
LMNA P02545 1/20 0.44
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
FABP1 P07148 1/20 0.42
ESR1 P03372 1/20 0.42
GAA P10253 1/20 0.42
ESR2 Q92731 1/20 0.42
TSHR P16473 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HPGD P15428 1/20 0.40
CYP1A2 P05177 2/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
KDM4E B2RXH2 1/20 0.39
RXRA P19793 1/20 0.39
RXRB P28702 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
SCHEMBL17456550 0.98 SLC22A6 (0.44) SLC22A6ALDH1A1LMNAMEN1KMT2A
Ammonia Solution, Strong SCHEMBL28878776 0.98 SLC22A6 (0.44) SLC22A6ALDH1A1LMNAMEN1KMT2A
Phosphoric Acid SCHEMBL28732281 0.92 SLC22A6 (0.41) SLC22A6ALDH1A1LMNAMEN1KMT2A
Potassium Ion SCHEMBL28132987 0.91 SLC22A6 (0.40) SLC22A6ALDH1A1LMNAMEN1KMT2A
SCHEMBL514247 0.84 SLC22A6 (0.53) SLC22A6ALDH1A1LMNAFABP1TSHR
SCHEMBL4120032 0.83 MAPT (0.47) SLC22A6ALDH1A1LMNAMEN1KMT2A
SCHEMBL29468655 0.82 ALDH1A1 (0.46) ALDH1A1LMNAMEN1KMT2AESR1
SCHEMBL777548 0.82 ALDH1A1 (0.46) ALDH1A1LMNAMEN1KMT2AESR1
Hydrogen Sulfide SCHEMBL3797182 0.82 MAPT (0.46) SLC22A6ALDH1A1LMNAMEN1KMT2A
SCHEMBL17157291 0.82 ALDH1A1 (0.48) SLC22A6ALDH1A1LMNAMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025133394-A1 METABOLIC FINGERPRINTING OF SALIVA SAMPLES USING NMR MAVEN HEALTH GMBH (CH) 2025-06-26 WO claimed
US-20240393304-A1 METHOD FOR DETECTING AND/OR QUANTIFYING MOOD DISORDER AND/OR IMPROVEMENTS OF THE MOOD DISORDER STATUS USING TRIGONELLINE AS BIOMARKER AND IMPROVED METHODS AND COMPOSITIONS THEREOF NESTLE SA (CH) 2024-11-28 US claimed
EP-4409295-A1 METHOD FOR DETECTING AND/OR QUANTIFYING MOOD DISORDER AND/OR IMPROVEMENTS OF THE MOOD DISORDER STATUS USING TRIGONELLINE AS BIOMARKER AND IMPROVED METHODS AND COMPOSITIONS THEREOF Société des Produits Nestlé S.A. (CH) 2024-08-07 EP claimed
US-12050228-B2 Automated sample quality assessment METABOLON, INC. (US) 2024-07-30 US claimed
CN-117126189-A 3-thio-3- (trimethylsilyl) -1-ketone compound, preparation method and application thereof 南京工业大学 2023-11-28 CN claimed
EP-4188075-A1 NUTRIENT LOSS REDUCTION METHOD, USES AND PRODUCTS PGG Wrightson Seeds Limited (NZ) 2023-06-07 EP claimed
WO-2023052261-A1 METHOD FOR DETECTING AND/OR QUANTIFYING MOOD DISORDER AND/OR IMPROVEMENTS OF THE MOOD DISORDER STATUS USING TRIGONELLINE AS BIOMARKER AND IMPROVED METHODS AND COMPOSITIONS THEREOF. Société des Produits Nestlé S.A. (CH) 2023-04-06 WO claimed
WO-2023004055-A1 METABOLIC AND INFLAMMATORY MARKERS FOR CAR-T CELL THERAPY THE CLEVELAND CLINIC FOUNDATION (US) 2023-01-26 WO claimed
WO-2022025774-A1 NUTRIENT LOSS REDUCTION METHOD, USES AND PRODUCTS PGG WRIGHTSON SEEDS LIMITED (NZ) 2022-02-03 WO claimed
WO-2021207822-A1 DETECTION, TREATMENT, AND MONITORING OF MICROBIOME-DEPENDANT PROTEIN FERMENTATION METABOLITES MCPHARMA BIOTECH INC. (CA) 2021-10-21 WO claimed
CN-105209909-B Biomarkers associated with renal function and methods of use thereof 梅塔博隆股份有限公司 2019-06-07 CN claimed
WO-2018112198-A1 SWEAT SENSING DEVICE KIDNEY BIOMARKER MEASUREMENT ECCRINE SYSTEMS, INC. (US) 2018-06-21 WO claimed
EP-3129909-A1 SMALL MOLECULE BIOCHEMICAL PROFILING OF INDIVIDUAL SUBJECTS FOR DISEASE DIAGNOSIS AND HEALTH ASSESSMENT Metabolon, Inc. (US) 2017-02-15 EP claimed
WO-2016115496-A1 METABOLITE BIOMARKERS PREDICTIVE OF RENAL DISEASE IN DIABETIC PATIENTS JOSLIN DIABETES CENTER (US) 2016-07-21 WO claimed
WO-2015157407-A1 SMALL MOLECULE BIOCHEMICAL PROFILING OF INDIVIDUAL SUBJECTS FOR DISEASE DIAGNOSIS AND HEALTH ASSESSMENT METABOLON, INC. (US) 2015-10-15 WO claimed
WO-2011010103-A1 METHODS AND USES IMPERIAL INNOVATIONS LIMITED (GB) 2011-01-27 WO claimed
CN-1799162-A Lithium secondary battery MITSUBISHI CHEM CORP (JP) 2006-07-05 CN claimed
US-20040110068-A1 Lithium secondary cell MITSUBISHI CHEMICAL CORPORATION (JP) 2004-06-10 US claimed
EP-1406338-A1 LITHIUM SECONDARY CELL MITSUBISHI CHEMICAL CORPORATION (JP) 2004-04-07 EP claimed
EP-0078349-A1 Antibiotic novel dianemycin derivative TAISHO PHARMACEUTICAL CO. LTD (JP) 1983-05-11 EP claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20240393304-A1 METHOD FOR DETECTING AND/OR QUANTIFYING MOOD DISORDER AND/OR IMPROVEMENTS OF THE MOOD DISORDER STATUS USING TRIGONELLINE AS BIOMARKER AND IMPROVED METHODS AND COMPOSITIONS THEREOF GRM4, TLR4, HTR4 SLC22A6 318/4885ALDH1A1 1194/4885LMNA 3504/4885

“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.