SCHEMBL21074162

SCHEMBL21074162

CC(C)(C)OC(=O)NC(Cc1ccccc1)C(=O)OCCCC(=O)O

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ACE P12821 2/20 0.58
CTSS P25774 4/20 0.58
CTSK P43235 4/20 0.58
CTSB P07858 2/20 0.58
CTSL P07711 1/20 0.58
KLK5 Q9Y337 1/20 0.54
ATM Q13315 1/20 0.51
AKT1 P31749 1/20 0.51
EPHX2 P34913 1/20 0.51
ITGB3 P05106 1/20 0.50
ITGA2B P08514 1/20 0.50
REN P00797 1/20 0.49
PPARA Q07869 2/20 0.48
PPARG P37231 1/20 0.48
TLR2 O60603 1/20 0.48
TLR1 Q15399 1/20 0.48
APP P05067 1/20 0.47

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
SCHEMBL27137271 1.00 ACE (0.58) ACECTSSCTSKCTSBCTSL
SCHEMBL18669021 1.00 ACE (0.58) ACECTSSCTSKCTSBCTSL
SCHEMBL13335848 0.93 ACE (0.61) ACECTSSCTSKCTSBCTSL
SCHEMBL14632961 0.89 CTSK (0.59) ACECTSSCTSKCTSBCTSL
SCHEMBL8271187 0.89 CTSK (0.59) ACECTSSCTSKCTSBCTSL
SCHEMBL18668834 0.88 CTSS (0.58) ACECTSSCTSKCTSBCTSL
SCHEMBL21074186 0.88 CTSS (0.58) ACECTSSCTSKCTSBCTSL
SCHEMBL16124527 0.88 CTSK (0.58) ACECTSSCTSKCTSBCTSL
SCHEMBL28469955 0.88 CTSS (0.58) ACECTSSCTSKCTSBCTSL
SCHEMBL28469954 0.88 CTSS (0.58) ACECTSSCTSKCTSBCTSL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240067651-A1 PRODRUGS OF MYELOPEROXIDASE INHIBITORS BIOHAVEN THERAPEUTICS LTD. 2024-02-29 US 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
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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (12 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 ACE 2514/4885CTSS 2772/4885CTSK 2962/4885
US-20200369598-A1 PRODRUGS OF GAMMA-HYDROXYBUTYRIC ACID, COMPOSITIONS AND USES THEREOF GABRB2, GABRB3, GABRB1 ACE 2110/4885CTSS 2924/4885CTSK 2709/4885
US-10941107-B2 Prodrugs of gamma-hydroxybutyric acid, compositions and uses thereof GABRB2, GABRB3, GABRB1 ACE 2110/4885CTSS 2924/4885CTSK 2709/4885
US-20200369599-A1 PRODRUGS OF GAMMA-HYDROXYBUTYRIC ACID, COMPOSITIONS AND USES THEREOF GABRB2, GABRB3, GABRB1 ACE 2110/4885CTSS 2924/4885CTSK 2709/4885
US-10457627-B2 Prodrugs of gamma-hydroxybutyric acid, compositions and uses thereof GABRB3, GABRB2, GABRB1 ACE 2514/4885CTSS 2772/4885CTSK 2962/4885
US-20190194120-A1 PRODRUGS OF GAMMA-HYDROXYBUTYRIC ACID, COMPOSITIONS AND USES THEREOF GABRB3, GABRB2, GABRB1 ACE 2514/4885CTSS 2772/4885CTSK 2962/4885
US-20200039917-A1 PRODRUGS OF GAMMA-HYDROXYBUTYRIC ACID, COMPOSITIONS AND USES THEREOF GABRB3, GABRB2, GABRB1 ACE 2514/4885CTSS 2772/4885CTSK 2962/4885
US-10774031-B2 Prodrugs of gamma-hydroxybutyric acid, compositions and uses thereof GABRB3, GABRB2, GABRB1 ACE 2514/4885CTSS 2772/4885CTSK 2962/4885
US-20240067651-A1 PRODRUGS OF MYELOPEROXIDASE INHIBITORS MPO, CAT, SOD1 ACE 164/4885CTSS 36/4885CTSK 121/4885
US-20210130281-A1 PRODRUGS OF GAMMA-HYDROXYBUTYRIC ACID, COMPOSITIONS AND USES THEREOF GABRB2, GABRB3, GABRB1 ACE 2110/4885CTSS 2924/4885CTSK 2709/4885
US-20190218168-A1 PRODRUGS OF GAMMA-HYDROXYBUTYRIC ACID, COMPOSITIONS AND USES THEREOF GABRB3, GABRB2, GABRB1 ACE 2514/4885CTSS 2772/4885CTSK 2962/4885
US-20200223783-A1 PRODRUGS OF GAMMA-HYDROXYBUTYRIC ACID, COMPOSITIONS AND USES THEREOF GABRB3, GABRB2, GABRB1 ACE 2514/4885CTSS 2772/4885CTSK 2962/4885

“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.