SCHEMBL3402001

SCHEMBL3402001

CC(C)(C)OC(=O)NCC(=O)OCCCCO

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.60
CA12 O43570 6/20 0.50
CA1 P00915 6/20 0.50
CA2 P00918 6/20 0.50
CA9 Q16790 6/20 0.50
ACHE P22303 6/20 0.45
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
GAA P10253 1/20 0.41
ALDH1A1 P00352 1/20 0.38
TSHR P16473 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
SCHEMBL16272988 0.88 TDP1 (0.51) TDP1CA12CA1CA2CA9
SCHEMBL28271381 0.87 TDP1 (0.54) TDP1CA12CA1CA2CA9
SCHEMBL16124577 0.87 CA12 (0.50) TDP1CA12CA1CA2CA9
SCHEMBL5265859 0.85 NAAA (0.53) TDP1CA12CA1CA2CA9
SCHEMBL1710035 0.85 CA12 (0.48) TDP1CA12CA1CA2CA9
SCHEMBL26947556 0.84 TDP1 (0.67) TDP1CA12CA1CA2CA9
SCHEMBL14218312 0.83 CA12 (0.47) TDP1CA12CA1CA2CA9
SCHEMBL27829380 0.83 CA12 (0.47) TDP1CA12CA1CA2CA9
SCHEMBL13416735 0.83 CA12 (0.47) TDP1CA12CA1CA2CA9
SCHEMBL18675948 0.82 CA12 (0.46) TDP1CA12CA1CA2CA9

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 33 patents — showing the first 20. 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
EP-4119539-A1 PRODRUGS OF GAMMA-HYDROXYBUTYRIC ACID, COMPOSITIONS AND USES THEREOF XWPharma Ltd. (KY) 2023-01-18 EP disclosed
EP-3353145-B1 PRODRUGS OF GAMMA-HYDROXYBUTYRIC ACID, COMPOSITIONS AND USES THEREOF XWPHARMA LTD (KY) 2022-09-28 EP disclosed
CN-113061089-A Prodrugs of gamma-hydroxybutyric acid, compositions and uses thereof 凯瑞康宁生物工程(武汉)有限公司 2021-07-02 CN disclosed
WO-2021127461-A1 METHODS OF SYNTHESIZING 4-VALYLOXYBUTYRIC ACID XW LABORATORIES LIMITED (CN) 2021-06-24 WO disclosed
US-20210130281-A1 PRODRUGS OF GAMMA-HYDROXYBUTYRIC ACID, COMPOSITIONS AND USES THEREOF XWPharma Ltd. (KY) 2021-05-06 US disclosed
US-20210130281-A1 PRODRUGS OF GAMMA-HYDROXYBUTYRIC ACID, COMPOSITIONS AND USES THEREOF XWPharma Ltd. (KY) 2021-05-06 US disclosed
CN-108283000-B Prodrugs of gamma-hydroxybutyric acid, compositions and uses thereof 凯瑞康宁生物工程(武汉)有限公司 2021-04-13 CN disclosed
US-10941107-B2 Prodrugs of gamma-hydroxybutyric acid, compositions and uses thereof XW LABORATORIES INC. (KY) 2021-03-09 US disclosed
US-10941107-B2 Prodrugs of gamma-hydroxybutyric acid, compositions and uses thereof XW LABORATORIES INC. (KY) 2021-03-09 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-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
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
WO-2017049470-A1 PRODRUGS OF GAMMA-HYDROXYBUTYRIC ACID, COMPOSITIONS AND USES THEREOF XW LABORATORIES INC. (CN) 2017-03-30 WO disclosed
US-20110052674-A1 ANGIOTENSIN II RECEPTOR BLOCKER DERIVATIVES MERCK SHARP & DOHME CORP. (US) 2011-03-03 US disclosed
EP-2250164-A2 ANGIOTENSIN II RECEPTOR BLOCKER DERIVATIVES Nicox S.A. (FR) 2010-11-17 EP disclosed
WO-2009106471-A2 NEW ANGIOTENSIN II RECEPTOR BLOCKER DERIVATIVES NICOX S.A. (FR) 2009-09-03 WO 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 (6 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-10941107-B2 Prodrugs of gamma-hydroxybutyric acid, compositions and uses thereof GABRB2, GABRB3, GABRB1 TDP1 2906/4885CA12 2144/4885CA1 1258/4885
US-10457627-B2 Prodrugs of gamma-hydroxybutyric acid, compositions and uses thereof GABRB3, GABRB2, GABRB1 TDP1 2265/4885CA12 1923/4885CA1 1450/4885
US-20190194120-A1 PRODRUGS OF GAMMA-HYDROXYBUTYRIC ACID, COMPOSITIONS AND USES THEREOF GABRB3, GABRB2, GABRB1 TDP1 2265/4885CA12 1923/4885CA1 1450/4885
US-20110052674-A1 ANGIOTENSIN II RECEPTOR BLOCKER DERIVATIVES AGTR1, AGTR2, AGT TDP1 4548/4885CA12 4398/4885CA1 4707/4885
US-20210130281-A1 PRODRUGS OF GAMMA-HYDROXYBUTYRIC ACID, COMPOSITIONS AND USES THEREOF GABRB2, GABRB3, GABRB1 TDP1 2906/4885CA12 2144/4885CA1 1258/4885
US-20190218168-A1 PRODRUGS OF GAMMA-HYDROXYBUTYRIC ACID, COMPOSITIONS AND USES THEREOF GABRB3, GABRB2, GABRB1 TDP1 2265/4885CA12 1923/4885CA1 1450/4885

“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.