SCHEMBL2341707

SCHEMBL2341707

CCCC(=O)O[C@H]1O[C@H](CO)[C@@H](O)[C@H](OC(=O)CCC)[C@H]1NC(C)=O

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 2/20 0.51
▸ TLR4 O00206 8/20 0.50
▸ ALDH1A1 P00352 2/20 0.50
▸ THRB P10828 1/20 0.50
▸ LGALS8 O00214 2/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ LY96 Q9Y6Y9 3/20 0.43
▸ CD69 Q07108 1/20 0.43
▸ PYGB P11216 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
SCHEMBL12391257 1.00 MAPK1 (0.51) MAPK1TLR4ALDH1A1THRBLGALS8
SCHEMBL2341701 1.00 MAPK1 (0.51) MAPK1TLR4ALDH1A1THRBLGALS8
SCHEMBL21137921 0.90 TLR4 (0.58) MAPK1TLR4LGALS8LY96PYGB
SCHEMBL16887431 0.90 TLR4 (0.60) MAPK1TLR4ALDH1A1THRBLGALS8
SCHEMBL16883902 0.90 TLR4 (0.60) MAPK1TLR4ALDH1A1THRBLGALS8
SCHEMBL23394777 0.90 TLR4 (0.60) MAPK1TLR4ALDH1A1THRBLGALS8
SCHEMBL16883901 0.90 TLR4 (0.60) MAPK1TLR4ALDH1A1THRBLGALS8
SCHEMBL7154645 0.83 ALDH1A1 (0.52) MAPK1ALDH1A1THRBLGALS8SMN1; SMN2
SCHEMBL8027243 0.83 ALDH1A1 (0.52) MAPK1ALDH1A1THRBLGALS8SMN1; SMN2
SCHEMBL7154639 0.83 ALDH1A1 (0.52) MAPK1ALDH1A1THRBLGALS8SMN1; SMN2

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-20160151400-A1 HYBRID SCFA-HYDROXYL-DERIVATIZED MONOSACCHARIDES, METHODS OF SYNTHESIS, AND METHODS OF TREATING DISORDERS UNIV JOHNS HOPKINS (US) 2016-06-02 — — US disclosed
US-9067960-B2 Hybrid SCFA-hydroxyl-derivatized monosaccharides, methods of synthesis, and methods of treating disorders THE JOHNS HOPKINS UNIVERSITY (US) 2015-06-30 — — US disclosed
US-8916544-B2 Hybrid SCFA-hydroxyl-derivatized monosaccharides, methods of synthesis, and methods of treating disorders THE JOHNS HOPKINS UNIVERSITY (US) 2014-12-23 — — US disclosed
US-20140220630-A1 HYBRID SCFA-HYDROXYL-DERIVATIZED MONOSACCHARIDES, METHODS OF SYNTHESIS, AND METHODS OF TREATING DISORDERS THE JOHNS HOPKINS UNIVERSITY (US) 2014-08-07 — — US disclosed
US-20110206734-A1 HYBRID SCFA-HYDROXYL-DERIVATIZED MONOSACCHARIDES, METHODS OF SYNTHESIS, AND METHODS OF TREATING DISORDERS THE JOHNS HOPKINS UNIVERSITY (US) 2011-08-25 — — 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 (3 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-20140220630-A1 HYBRID SCFA-HYDROXYL-DERIVATIZED MONOSACCHARIDES, METHODS OF SYNTHESIS, AND METHODS OF TREATING DISORDERS HCAR2, HSD17B14, FASN MAPK1 4102/4885TLR4 704/4885ALDH1A1 177/4885
US-20160151400-A1 HYBRID SCFA-HYDROXYL-DERIVATIZED MONOSACCHARIDES, METHODS OF SYNTHESIS, AND METHODS OF TREATING DISORDERS HCAR2, HSD17B14, FASN MAPK1 4102/4885TLR4 704/4885ALDH1A1 177/4885
US-20110206734-A1 HYBRID SCFA-HYDROXYL-DERIVATIZED MONOSACCHARIDES, METHODS OF SYNTHESIS, AND METHODS OF TREATING DISORDERS HCAR2, HSD17B14, FASN MAPK1 4102/4885TLR4 704/4885ALDH1A1 177/4885

“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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