SCHEMBL16998721

SCHEMBL16998721

CC(=O)NC1C(OC(C)C)OC(COS(=O)(=O)O)C(O)C1O

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.55
▸ THRB P10828 1/20 0.55
▸ CA1 P00915 1/20 0.50
▸ CA2 P00918 1/20 0.50
▸ CA9 Q16790 1/20 0.50
▸ MAPK1 P28482 2/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ CD69 Q07108 1/20 0.40
▸ PTN P21246 1/20 0.40
▸ MDK P21741 1/20 0.40
▸ BDNF P23560 1/20 0.40
▸ MMP9 P14780 1/20 0.39
▸ MMP12 P39900 1/20 0.39
▸ HPSE Q9Y251 2/20 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
SCHEMBL17002053 0.86 CA2 (0.47) ALDH1A1THRBCA1CA2CA9
SCHEMBL26776391 0.85 ALDH1A1 (0.47) ALDH1A1THRBCA1CA2CA9
SCHEMBL23640100 0.84 ALDH1A1 (0.43) ALDH1A1THRBCA1CA2CA9
SCHEMBL30089326 0.82 MAPK1 (0.45) ALDH1A1THRBCA1CA2CA9
SCHEMBL22362645 0.82 MAPK1 (0.45) ALDH1A1THRBCA1CA2CA9
SCHEMBL20474503 0.82 MAPK1 (0.45) ALDH1A1THRBCA1CA2CA9
SCHEMBL15966248 0.82 MAPK1 (0.45) ALDH1A1THRBCA1CA2CA9
SCHEMBL23631128 0.82 MAPK1 (0.45) ALDH1A1THRBCA1CA2CA9
SCHEMBL15965653 0.82 MAPK1 (0.45) ALDH1A1THRBCA1CA2CA9
SCHEMBL15966272 0.82 MAPK1 (0.45) ALDH1A1THRBCA1CA2CA9

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 5 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-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-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 ALDH1A1 3093/4885THRB 4598/4885CA1 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 ALDH1A1 3093/4885THRB 4598/4885CA1 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.

Send feedback