SCHEMBL17002053

SCHEMBL17002053

COC1OC(COS(=O)(=O)O)C(O)C(O)C1NC(C)=O

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 2/20 0.47
▸ CA9 Q16790 2/20 0.47
▸ CA1 P00915 1/20 0.47
▸ F10 P00742 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ THRB P10828 1/20 0.46
▸ MMP9 P14780 1/20 0.46
▸ MMP12 P39900 1/20 0.46
▸ MAPK1 P28482 1/20 0.44
▸ CD69 Q07108 1/20 0.42
▸ PTN P21246 1/20 0.42
▸ MDK P21741 1/20 0.42
▸ BDNF P23560 1/20 0.42
▸ FGF1 P05230 1/20 0.40
▸ HPSE Q9Y251 2/20 0.40
▸ LGALS3 P17931 2/20 0.40
▸ LGALS1 P09382 1/20 0.40
▸ LGALS7; LGALS7B P47929 1/20 0.40

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
SCHEMBL7150356 0.90 CA2 (0.47) CA2CA9CA1ALDH1A1THRB
SCHEMBL7150359 0.90 CA2 (0.47) CA2CA9CA1ALDH1A1THRB
SCHEMBL16998721 0.86 ALDH1A1 (0.55) CA2CA9CA1ALDH1A1THRB
SCHEMBL15965653 0.85 MAPK1 (0.45) CA2CA9CA1F10ALDH1A1
SCHEMBL15966248 0.85 MAPK1 (0.45) CA2CA9CA1F10ALDH1A1
SCHEMBL23631128 0.85 MAPK1 (0.45) CA2CA9CA1F10ALDH1A1
SCHEMBL22362645 0.85 MAPK1 (0.45) CA2CA9CA1F10ALDH1A1
SCHEMBL20474503 0.85 MAPK1 (0.45) CA2CA9CA1F10ALDH1A1
SCHEMBL30089326 0.85 MAPK1 (0.45) CA2CA9CA1F10ALDH1A1
SCHEMBL17689074 0.85 MAPK1 (0.45) CA2CA9CA1F10ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170190665-A1 Sugar Derivatives Comprising Sulfur-Containing Moieties And Methods Of Making Same And Methods Of Using The Same For The Treatment Of MPS IIIC WILMINGTON TRUST, NATIONAL ASSOCIATION 2017-07-06 — — US disclosed
US-9598438-B2 Sugar derivatives comprising sulfur-containing moieties and methods of making same and methods of using the same for the treatment of MPS IIIC AMICUS THERAPEUTICS, INC. (US) 2017-03-21 — — US disclosed
US-20150225420-A1 Sugar Derivatives Comprising Sulfur-Containing Moieties And Methods Of Making Same and Methods of Using the Same for the Treatment of MPS IIIC WILMINGTON TRUST, NATIONAL ASSOCIATION 2015-08-13 — — 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-20150225420-A1 Sugar Derivatives Comprising Sulfur-Containing Moieties And Methods Of Making Same and Methods of Using the Same for the Treatment of MPS IIIC MPST, STS, GALC CA2 2677/4885CA9 1323/4885CA1 2905/4885
US-20170190665-A1 Sugar Derivatives Comprising Sulfur-Containing Moieties And Methods Of Making Same And Methods Of Using The Same For The Treatment Of MPS IIIC MPST, STS, GALC CA2 2677/4885CA9 1323/4885CA1 2905/4885

“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.

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