SCHEMBL2338181

SCHEMBL2338181

CCCC(=O)OC1O[C@H](CO)[C@@H](OC(=O)CCC)[C@H](OC(=O)CCC)[C@@H]1NC(=O)CCC(C)=O

nearest known ligand 0.65

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ TLR4 O00206 15/20 0.65
▸ LY96 Q9Y6Y9 6/20 0.57
▸ PYGB P11216 1/20 0.38
▸ LMNA P02545 2/20 0.38
▸ KMT2A Q03164 1/20 0.36
▸ LGALS8 O00214 1/20 0.36

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
SCHEMBL12391271 1.00 TLR4 (0.65) TLR4LY96PYGBLMNAKMT2A
SCHEMBL17793805 1.00 TLR4 (0.65) TLR4LY96PYGBLMNAKMT2A
SCHEMBL12391272 0.92 TLR4 (0.54) TLR4LY96PYGBLMNAKMT2A
SCHEMBL2336007 0.88 TLR4 (0.52) TLR4LY96LMNAKMT2A
SCHEMBL15928792 0.88 TLR4 (0.52) TLR4LY96LMNAKMT2A
SCHEMBL17689315 0.88 TLR4 (0.52) TLR4LY96LMNAKMT2A
SCHEMBL12391273 0.88 TLR4 (0.52) TLR4LY96LMNAKMT2A
SCHEMBL23394777 0.88 TLR4 (0.60) TLR4LY96LMNAKMT2ALGALS8
SCHEMBL16883902 0.88 TLR4 (0.60) TLR4LY96LMNAKMT2ALGALS8
SCHEMBL16883901 0.88 TLR4 (0.60) TLR4LY96LMNAKMT2ALGALS8

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 TLR4 704/4885LY96 4540/4885PYGB 830/4885
US-20160151400-A1 HYBRID SCFA-HYDROXYL-DERIVATIZED MONOSACCHARIDES, METHODS OF SYNTHESIS, AND METHODS OF TREATING DISORDERS HCAR2, HSD17B14, FASN TLR4 704/4885LY96 4540/4885PYGB 830/4885
US-20110206734-A1 HYBRID SCFA-HYDROXYL-DERIVATIZED MONOSACCHARIDES, METHODS OF SYNTHESIS, AND METHODS OF TREATING DISORDERS HCAR2, HSD17B14, FASN TLR4 704/4885LY96 4540/4885PYGB 830/4885

“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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