SCHEMBL13575271

SCHEMBL13575271

CC[C@@H]1O[C@H](CC)[C@@H](O)[C@H]1O

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
OGA O60502 3/20 0.41
FBP1 P09467 1/20 0.37
GAA P10253 2/20 0.35
MGAM O43451 1/20 0.35
SI P14410 1/20 0.35
MGAM2 Q2M2H8 1/20 0.35
LGALS1 P09382 2/20 0.33
LGALS3 P17931 2/20 0.33
PYGB P11216 2/20 0.33
LGALS9 O00182 1/20 0.33
LGALS8 O00214 1/20 0.33
ADK P55263 2/20 0.32
G6PD P11413 1/20 0.32

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
SCHEMBL14447610 1.00 OGA (0.41) OGAFBP1GAAMGAMSI
SCHEMBL12972236 1.00 OGA (0.41) OGAFBP1GAAMGAMSI
SCHEMBL14447602 1.00 OGA (0.41) OGAFBP1GAAMGAMSI
SCHEMBL388615 0.89 LGALS1 (0.48) OGAGAALGALS1LGALS3PYGB
SCHEMBL22854031 0.89 LGALS1 (0.48) OGAGAALGALS1LGALS3PYGB
SCHEMBL24496738 0.89 LGALS1 (0.48) OGAGAALGALS1LGALS3PYGB
SCHEMBL10111771 0.89 LGALS1 (0.48) OGAGAALGALS1LGALS3PYGB
SCHEMBL22059921 0.89 LGALS1 (0.48) OGAGAALGALS1LGALS3PYGB
SCHEMBL24618835 0.89 LGALS1 (0.48) OGAGAALGALS1LGALS3PYGB
SCHEMBL10182892 0.89 LGALS1 (0.48) OGAGAALGALS1LGALS3PYGB

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
WO-2018065387-A1 NOVEL HAMAMELITANNIN ANALOGUES AND USES THEREOF UNIVERSITEIT GENT (BE) 2018-04-12 WO disclosed
US-8557765-B2 Spatially-defined macrocycles incorporating peptide bond surrogates TRANZYME PHARMA INC. (CA) 2013-10-15 US disclosed
US-8557765-B2 Spatially-defined macrocycles incorporating peptide bond surrogates TRANZYME PHARMA INC. (CA) 2013-10-15 US disclosed
US-20090312540-A1 SPATIALLY-DEFINED MACROCYCLES INCORPORATING PEPTIDE BOND SURROGATES MNK 2011 LLC (F/K/A MALLINCKRODT INC.) 2009-12-17 US disclosed
US-7521420-B2 Macrocyclic antagonists of the motilin receptor TRANZYME PHARMA, INC. (CA) 2009-04-21 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 (1 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-20090312540-A1 SPATIALLY-DEFINED MACROCYCLES INCORPORATING PEPTIDE BOND SURROGATES MLNR, GIPR, GRPR OGA 4021/4885FBP1 4628/4885GAA 2250/4885

“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.