SCHEMBL2365088

SCHEMBL2365088

CCCCCOC1O[C@H](CO)[C@@H](O)[C@H](OCCCCC)[C@@H]1NC(C)=O

nearest known ligand 0.80

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.80
LGALS8 O00214 1/20 0.58
LGALS3 P17931 1/20 0.58
LGALS4 P56470 1/20 0.58
ALDH1A1 P00352 2/20 0.49
THRB P10828 1/20 0.49
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
CA9 Q16790 2/20 0.47
B4GALT1 P15291 1/20 0.45
BMP2 P12643 1/20 0.45
VEGFA P15692 1/20 0.45
CXCL12 P48061 1/20 0.45
SHH Q15465 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
CD69 Q07108 1/20 0.43
GBA1 P04062 1/20 0.41

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
SCHEMBL13270377 0.90 MAPK1 (0.97) MAPK1LGALS8LGALS3LGALS4ALDH1A1
SCHEMBL20348868 0.90 MAPK1 (0.97) MAPK1LGALS8LGALS3LGALS4ALDH1A1
SCHEMBL22927888 0.90 MAPK1 (0.97) MAPK1LGALS8LGALS3LGALS4ALDH1A1
SCHEMBL14010316 0.90 MAPK1 (0.97) MAPK1LGALS8LGALS3LGALS4ALDH1A1
SCHEMBL2733582 0.90 MAPK1 (0.97) MAPK1LGALS8LGALS3LGALS4ALDH1A1
SCHEMBL18961651 0.90 MAPK1 (0.97) MAPK1LGALS8LGALS3LGALS4ALDH1A1
SCHEMBL30567492 0.90 MAPK1 (0.79) MAPK1LGALS8LGALS3LGALS4ALDH1A1
SCHEMBL12560771 0.89 MAPK1 (0.68) MAPK1LGALS8LGALS3LGALS4ALDH1A1
SCHEMBL25480942 0.89 MAPK1 (1.00) MAPK1LGALS8LGALS3LGALS4ALDH1A1
SCHEMBL7715066 0.89 MAPK1 (1.00) MAPK1LGALS8LGALS3LGALS4ALDH1A1

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 4102/4885LGALS8 1378/4885LGALS3 1244/4885
US-20160151400-A1 HYBRID SCFA-HYDROXYL-DERIVATIZED MONOSACCHARIDES, METHODS OF SYNTHESIS, AND METHODS OF TREATING DISORDERS HCAR2, HSD17B14, FASN MAPK1 4102/4885LGALS8 1378/4885LGALS3 1244/4885
US-20110206734-A1 HYBRID SCFA-HYDROXYL-DERIVATIZED MONOSACCHARIDES, METHODS OF SYNTHESIS, AND METHODS OF TREATING DISORDERS HCAR2, HSD17B14, FASN MAPK1 4102/4885LGALS8 1378/4885LGALS3 1244/4885

“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.