SCHEMBL339794

SCHEMBL339794

CC[N+](CC)(CC)S(=O)(=O)O

nearest known ligand 0.34

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.34
CA5A P35218 1/20 0.31
CA5B Q9Y2D0 1/20 0.31

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
Hydrochloric Acid SCHEMBL28827713 0.97 HSD17B10 (0.33) HSD17B10
SCHEMBL1573497 0.77 ALDH1A1 (0.32)
SCHEMBL5874546 0.75 SLC22A1 (0.35)
SCHEMBL5874470 0.71 SLC22A1 (0.41)
Propane SCHEMBL11244315 0.71 MEN1 (0.33)
SCHEMBL9010761 0.71
SCHEMBL8864202 0.71
Hydrogen Sulfide SCHEMBL28046696 0.70
Sulfuric Acid SCHEMBL28167631 0.70
Sulfuric Acid SCHEMBL9350051 0.69 CA5A (0.43) HSD17B10CA5ACA5B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8293782-B2 Compound, probe containing the novel compound, and fluorescence-imaging contrast agent containing the novel compound or the probe CANON KABUSHIKI KAISHA (JP) 2012-10-23 US claimed
US-20100197937-A1 NOVEL COMPOUND, PROBE CONTAINING THE NOVEL COMPOUND, AND FLUORESCENCE-IMAGING CONTRAST AGENT CONTAINING THE NOVEL COMPOUND OR THE PROBE CANON KABUSHIKI KAISHA (JP) 2010-08-05 US claimed
WO-2023123406-A1 METHOD FOR PREPARING ACESULFAME POTASSIUM 安徽金禾实业股份有限公司 2023-07-06 WO disclosed
CN-116178315-A Method for efficiently converting chitosan into 5-hydroxymethylfurfural by using sulfonated ionic liquid 集美大学 2023-05-30 CN disclosed
US-8293782-B2 Compound, probe containing the novel compound, and fluorescence-imaging contrast agent containing the novel compound or the probe CANON KABUSHIKI KAISHA (JP) 2012-10-23 US disclosed
US-8293782-B2 Compound, probe containing the novel compound, and fluorescence-imaging contrast agent containing the novel compound or the probe CANON KABUSHIKI KAISHA (JP) 2012-10-23 US disclosed
US-20120016044-A1 PROCESS TO PREPARE FLUOROPOLYMER DISPERSIONS AND MEMBRANES E.I. DU PONT DE NEMOURS AND COMPANY (US) 2012-01-19 US disclosed
US-8058319-B2 Process to prepare fluoropolymer dispersions and membranes E.I. DU PONT DE NEMOURS AND COMPANY (US) 2011-11-15 US disclosed
EP-2027194-B1 FLUOROPOLYMER DISPERSIONS DU PONT (US) 2011-07-06 EP disclosed
EP-2027191-B1 PROCESS TO PREPARE FLUOROPOLYMER DISPERSIONS AND MEMBRANES DU PONT (US) 2011-01-26 EP disclosed
JP-2010195764-A NEW COMPOUND, PROBE USING THE SAME AND CONTRAST MEDIUM FOR FLUORESCENT IMAGING USING THE NEW COMPOUND OR THE PROBE CANON INC 2010-09-09 JP disclosed
EP-1022289-B1 NOVEL GLYCOSAMINOGLYCAN AND DRUG COMPOSITIONS CONTAINING THE SAME SEIKAGAKU KOGYO CO LTD (JP) 2004-07-07 EP disclosed
US-20030091838-A1 Composition for film formation, method of film formation, and silica-based film JSR CORPORATION (JP) 2003-05-15 US disclosed
US-6492503-B1 HAVING BACKBONE STRUCTURE COMPRISING REPETITIVE DISACCHARIDE BEARING A URONIC ACID RESIDUE AND A GLUCOSAMINE RESIDUE, AND HAVING SULFATE GROUPS, WITH SUBSTANTIALLY NO SULFATE GROUP BOUND TO HYDROXYL GROUP AT 6-POSITION OF THE GLUCOSAMINE SEIKAGAKU CORPORATION (JP) 2002-12-10 US disclosed
EP-0747418-B1 Aromatic polyimide and gas separation UBE INDUSTRIES (JP) 2002-07-03 EP disclosed
EP-1022289-A1 NOVEL GLYCOSAMINOGLYCAN AND DRUG COMPOSITIONS CONTAINING THE SAME SEIKAGAKU CORPORATION (JP) 2000-07-26 EP disclosed
US-5744575-A Aromatic polyimide and gas separation UBE INDUSTRIES, LTD. (JP) 1998-04-28 US disclosed
EP-0747418-A1 Aromatic polyimide and gas separation UBE INDUSTRIES, LTD. (JP) 1996-12-11 EP disclosed
US-5068226-A For transdermal delivery of drugs CYCLEX, INC. (US) 1991-11-26 US disclosed
US-4266048-A Synthesis of analogs of 3'-phosphoadenosine 5'-phosphosulfate (PAPS) THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH, EDUCATION AND WELFARE (US) 1981-05-05 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 (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-20100197937-A1 NOVEL COMPOUND, PROBE CONTAINING THE NOVEL COMPOUND, AND FLUORESCENCE-IMAGING CONTRAST AGENT CONTAINING THE NOVEL COMPOUND OR THE PROBE RXFP1, ARG1, KCNMB1 HSD17B10 4348/4885CA5A 2319/4885CA5B 2203/4885

“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.