SCHEMBL18686281

SCHEMBL18686281

CN(CC(=O)OCCCC(=O)OCc1ccccc1)C(=O)OC(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 6/20 0.45
TLR2 O60603 1/20 0.42
TLR1 Q15399 1/20 0.42
ALDH1A1 P00352 4/20 0.40
MAPK1 P28482 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
CYP3A4 P08684 1/20 0.39
TSHR P16473 1/20 0.39
LMNA P02545 1/20 0.39
HDAC3 O15379 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
NCOR2 Q9Y618 1/20 0.38
HTR2C P28335 1/20 0.38
SLC6A4 P31645 1/20 0.38
LTA4H P09960 2/20 0.38
SYK P43405 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
SCHEMBL7703626 0.90 ALDH1A1 (0.49) L3MBTL1ALDH1A1MAPK1TDP1MAPT
SCHEMBL25132769 0.85 CTSL (0.45) L3MBTL1ALDH1A1MAPK1MAPTHPGD
SCHEMBL31072143 0.85 CTSL (0.45) L3MBTL1ALDH1A1MAPK1MAPTHPGD
SCHEMBL25211503 0.85 L3MBTL1 (0.48) L3MBTL1ALDH1A1MAPK1MAPTHPGD
SCHEMBL31072120 0.85 CTSL (0.45) L3MBTL1ALDH1A1MAPK1MAPTHPGD
SCHEMBL25132759 0.85 CTSL (0.45) L3MBTL1ALDH1A1MAPK1MAPTHPGD
SCHEMBL24938393 0.84 L3MBTL1 (0.42) L3MBTL1ALDH1A1MAPK1MAPTHPGD
SCHEMBL18668968 0.84 ALDH1A1 (0.46) L3MBTL1ALDH1A1MAPK1TDP1MAPT
SCHEMBL3421550 0.84 ALDH1A1 (0.47) L3MBTL1ALDH1A1MAPK1TDP1MAPT
SCHEMBL28956076 0.83 L3MBTL1 (0.47) L3MBTL1ALDH1A1MAPK1MAPTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4119539-A1 PRODRUGS OF GAMMA-HYDROXYBUTYRIC ACID, COMPOSITIONS AND USES THEREOF XWPharma Ltd. (KY) 2023-01-18 EP disclosed
US-20210130281-A1 PRODRUGS OF GAMMA-HYDROXYBUTYRIC ACID, COMPOSITIONS AND USES THEREOF XWPharma Ltd. (KY) 2021-05-06 US disclosed
US-10941107-B2 Prodrugs of gamma-hydroxybutyric acid, compositions and uses thereof XW LABORATORIES INC. (KY) 2021-03-09 US disclosed
US-20200369598-A1 PRODRUGS OF GAMMA-HYDROXYBUTYRIC ACID, COMPOSITIONS AND USES THEREOF XW LABORATORIES INC. (KY) 2020-11-26 US disclosed
US-20200369599-A1 PRODRUGS OF GAMMA-HYDROXYBUTYRIC ACID, COMPOSITIONS AND USES THEREOF XW LABORATORIES INC. (KY) 2020-11-26 US disclosed
US-10774031-B2 Prodrugs of gamma-hydroxybutyric acid, compositions and uses thereof XW LABORATORIES INC. (KY) 2020-09-15 US disclosed
US-20200223783-A1 PRODRUGS OF GAMMA-HYDROXYBUTYRIC ACID, COMPOSITIONS AND USES THEREOF XW LABORATORIES INC. (KY) 2020-07-16 US disclosed
US-10640451-B2 Prodrugs of gamma-hydroxybutyric acid, compositions and uses thereof XW LABORATORIES INC. (KY) 2020-05-05 US disclosed
US-20200039917-A1 PRODRUGS OF GAMMA-HYDROXYBUTYRIC ACID, COMPOSITIONS AND USES THEREOF XWPharma Ltd. (KY) 2020-02-06 US disclosed
US-10457627-B2 Prodrugs of gamma-hydroxybutyric acid, compositions and uses thereof XW LABORATORIES INC. (KY) 2019-10-29 US disclosed
US-20190218168-A1 PRODRUGS OF GAMMA-HYDROXYBUTYRIC ACID, COMPOSITIONS AND USES THEREOF XWPharma Ltd. (KY) 2019-07-18 US disclosed
US-20190194120-A1 PRODRUGS OF GAMMA-HYDROXYBUTYRIC ACID, COMPOSITIONS AND USES THEREOF XWPharma Ltd. (KY) 2019-06-27 US disclosed
WO-2017050259-A1 PRODRUGS OF GAMMA-HYDROXYBUTYRIC ACID, COMPOSITIONS AND USES THEREOF XW LABORATORIES INC. (KY) 2017-03-30 WO disclosed
US-9133137-B2 Derivatives of gefitinib CONCERT PHARMACEUTICALS, INC. (US) 2015-09-15 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 (11 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-10640451-B2 Prodrugs of gamma-hydroxybutyric acid, compositions and uses thereof GABRB3, GABRB2, GABRB1 L3MBTL1 1789/4885TLR2 3787/4885TLR1 3880/4885
US-20200369598-A1 PRODRUGS OF GAMMA-HYDROXYBUTYRIC ACID, COMPOSITIONS AND USES THEREOF GABRB2, GABRB3, GABRB1 L3MBTL1 1948/4885TLR2 3860/4885TLR1 3620/4885
US-10941107-B2 Prodrugs of gamma-hydroxybutyric acid, compositions and uses thereof GABRB2, GABRB3, GABRB1 L3MBTL1 1948/4885TLR2 3860/4885TLR1 3620/4885
US-20200369599-A1 PRODRUGS OF GAMMA-HYDROXYBUTYRIC ACID, COMPOSITIONS AND USES THEREOF GABRB2, GABRB3, GABRB1 L3MBTL1 1948/4885TLR2 3860/4885TLR1 3620/4885
US-10457627-B2 Prodrugs of gamma-hydroxybutyric acid, compositions and uses thereof GABRB3, GABRB2, GABRB1 L3MBTL1 1789/4885TLR2 3787/4885TLR1 3880/4885
US-20190194120-A1 PRODRUGS OF GAMMA-HYDROXYBUTYRIC ACID, COMPOSITIONS AND USES THEREOF GABRB3, GABRB2, GABRB1 L3MBTL1 1789/4885TLR2 3787/4885TLR1 3880/4885
US-20200039917-A1 PRODRUGS OF GAMMA-HYDROXYBUTYRIC ACID, COMPOSITIONS AND USES THEREOF GABRB3, GABRB2, GABRB1 L3MBTL1 1789/4885TLR2 3787/4885TLR1 3880/4885
US-10774031-B2 Prodrugs of gamma-hydroxybutyric acid, compositions and uses thereof GABRB3, GABRB2, GABRB1 L3MBTL1 1789/4885TLR2 3787/4885TLR1 3880/4885
US-20210130281-A1 PRODRUGS OF GAMMA-HYDROXYBUTYRIC ACID, COMPOSITIONS AND USES THEREOF GABRB2, GABRB3, GABRB1 L3MBTL1 1948/4885TLR2 3860/4885TLR1 3620/4885
US-20190218168-A1 PRODRUGS OF GAMMA-HYDROXYBUTYRIC ACID, COMPOSITIONS AND USES THEREOF GABRB3, GABRB2, GABRB1 L3MBTL1 1789/4885TLR2 3787/4885TLR1 3880/4885
US-20200223783-A1 PRODRUGS OF GAMMA-HYDROXYBUTYRIC ACID, COMPOSITIONS AND USES THEREOF GABRB3, GABRB2, GABRB1 L3MBTL1 1789/4885TLR2 3787/4885TLR1 3880/4885

“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.