SCHEMBL20276367

SCHEMBL20276367

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC22A6 Q4U2R8 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
CACNA2D1 P54289 2/20 0.37
CACNB3 P54284 1/20 0.37
CACNA1C Q13936 1/20 0.37
PGR P06401 1/20 0.37
ADRA1A P35348 1/20 0.37
HTR2B P41595 1/20 0.37
CACNA2D2 Q9NY47 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
MAPT P10636 1/20 0.34
ALOX15 P16050 1/20 0.34
GABRR1 P24046 2/20 0.33
LMNA P02545 2/20 0.33
FFAR1 O14842 1/20 0.33
GABRP O00591 2/20 0.32
GABRD O14764 2/20 0.32
GABRA1 P14867 2/20 0.32
GABRB1 P18505 2/20 0.32
GABRG2 P18507 2/20 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
SCHEMBL20276342 1.00 SLC22A6 (0.39) SLC22A6TDP1CACNA2D1CACNB3CACNA1C
SCHEMBL3365739 1.00 SLC22A6 (0.39) SLC22A6TDP1CACNA2D1CACNB3CACNA1C
SCHEMBL15910178 0.89 SLC22A6 (0.43) SLC22A6TDP1CACNA2D1CACNB3CACNA1C
SCHEMBL28308009 0.86 SLC22A6 (0.41) SLC22A6TDP1CACNA2D1CACNB3CACNA1C
SCHEMBL2950326 0.80 SLC22A6 (0.36) SLC22A6TDP1CACNA2D1CACNB3CACNA1C
SCHEMBL852395 0.79 SLC22A6 (0.39) SLC22A6TDP1CACNA2D1CACNB3CACNA1C
SCHEMBL11389101 0.78 TDP1 (0.39) SLC22A6TDP1CACNA2D1CACNB3CACNA1C
SCHEMBL29283319 0.77 SLC22A6 (0.38) SLC22A6TDP1CACNA2D1CACNB3CACNA1C
SCHEMBL143521 0.76
SCHEMBL19512271 0.76

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11708387-B2 Hexose derivatives, preparation and uses thereof FACULDADE DE CIÊNCIAS DA UNIVERSIDADE DE LISBOA (PT) 2023-07-25 US disclosed
US-20180170955-A1 HEXOSE DERIVATIVES, PREPARATION AND USES THEREOF UNIVERSIDADE NOVA DE LISBOA (PT) 2018-06-21 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 (2 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-20180170955-A1 HEXOSE DERIVATIVES, PREPARATION AND USES THEREOF HK1, SLC5A1, HK2 SLC22A6 160/4885TDP1 4636/4885CACNA2D1 3312/4885
US-11708387-B2 Hexose derivatives, preparation and uses thereof HK1, SLC5A1, HK2 SLC22A6 160/4885TDP1 4636/4885CACNA2D1 3312/4885

“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.