SCHEMBL2336920

SCHEMBL2336920

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

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 1/20 0.46
▸ TLR4 O00206 9/20 0.41
▸ LMNA P02545 2/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ LY96 Q9Y6Y9 6/20 0.40
▸ MAPK1 P28482 2/20 0.40
▸ CA12 O43570 4/20 0.39
▸ CA1 P00915 4/20 0.39
▸ CA2 P00918 4/20 0.39
▸ CA9 Q16790 4/20 0.39
▸ CA14 Q9ULX7 4/20 0.39
▸ ALDH1A1 P00352 1/20 0.38
▸ POLB P06746 1/20 0.38

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
SCHEMBL2336925 1.00 MAPT (0.46) MAPTTLR4LMNAKMT2ALY96
SCHEMBL2335538 0.93 MAPT (0.48) MAPTTLR4LMNAKMT2ALY96
SCHEMBL2335548 0.93 MAPT (0.48) MAPTTLR4LMNAKMT2ALY96
SCHEMBL17453047 0.93 MAPT (0.48) MAPTTLR4LMNAKMT2ALY96
SCHEMBL17453045 0.93 MAPT (0.48) MAPTTLR4LMNAKMT2ALY96
SCHEMBL2339111 0.93 MAPT (0.48) MAPTTLR4LMNAKMT2ALY96
SCHEMBL17453046 0.93 MAPT (0.48) MAPTTLR4LMNAKMT2ALY96
SCHEMBL2338095 0.88 TLR4 (0.53) MAPTTLR4LMNAKMT2ALY96
SCHEMBL2343353 0.88 TLR4 (0.53) MAPTTLR4LMNAKMT2ALY96
SCHEMBL2338089 0.88 TLR4 (0.53) MAPTTLR4LMNAKMT2ALY96

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 MAPT 2222/4885TLR4 704/4885LMNA 1218/4885
US-20160151400-A1 HYBRID SCFA-HYDROXYL-DERIVATIZED MONOSACCHARIDES, METHODS OF SYNTHESIS, AND METHODS OF TREATING DISORDERS HCAR2, HSD17B14, FASN MAPT 2222/4885TLR4 704/4885LMNA 1218/4885
US-20110206734-A1 HYBRID SCFA-HYDROXYL-DERIVATIZED MONOSACCHARIDES, METHODS OF SYNTHESIS, AND METHODS OF TREATING DISORDERS HCAR2, HSD17B14, FASN MAPT 2222/4885TLR4 704/4885LMNA 1218/4885

“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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