SCHEMBL21168988

SCHEMBL21168988

COC(=O)CCCOC(=O)COC(=O)CNC(=O)OC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA12 O43570 5/20 0.42
CA2 P00918 5/20 0.42
CA1 P00915 4/20 0.42
CA9 Q16790 4/20 0.42
CA14 Q9ULX7 1/20 0.39
TSHR P16473 3/20 0.39
TDP1 Q9NUW8 2/20 0.39
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
ALDH1A1 P00352 2/20 0.37
GAA P10253 1/20 0.37
RECQL P46063 1/20 0.37
LMNA P02545 1/20 0.34
TPSAB1 Q15661 1/20 0.34
TPSD1 Q9BZJ3 1/20 0.34
TPSG1 Q9NRR2 1/20 0.34

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
SCHEMBL18668836 0.89 CA12 (0.42) CA12CA2CA1CA9CA14
SCHEMBL28552233 0.84 CA12 (0.44) CA12CA2CA1CA9TSHR
SCHEMBL18675948 0.82 CA12 (0.46) CA12CA2CA1CA9CA14
SCHEMBL18686203 0.81 SYK (0.48) TDP1MEN1KMT2AGAATPSAB1
SCHEMBL27829380 0.80 CA12 (0.47) CA12CA2CA1CA9CA14
SCHEMBL21168987 0.80 CA2 (0.39) CA12CA2CA1CA9CA14
SCHEMBL1710035 0.79 CA12 (0.48) CA12CA2CA1CA9TSHR
SCHEMBL22971370 0.79 MEN1 (0.51) CA12CA2CA1CA9CA14
SCHEMBL22699874 0.78 CTSK (0.39) MEN1KMT2AALDH1A1LMNATPSAB1
SCHEMBL19120975 0.78 CA12 (0.55) CA12CA2CA1CA9TSHR

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-20200369598-A1 PRODRUGS OF GAMMA-HYDROXYBUTYRIC ACID, COMPOSITIONS AND USES THEREOF XW LABORATORIES INC. (KY) 2020-11-26 US disclosed
US-20190218168-A1 PRODRUGS OF GAMMA-HYDROXYBUTYRIC ACID, COMPOSITIONS AND USES THEREOF XWPharma Ltd. (KY) 2019-07-18 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-20200369598-A1 PRODRUGS OF GAMMA-HYDROXYBUTYRIC ACID, COMPOSITIONS AND USES THEREOF GABRB2, GABRB3, GABRB1 CA12 2144/4885CA2 2197/4885CA1 1258/4885
US-20190218168-A1 PRODRUGS OF GAMMA-HYDROXYBUTYRIC ACID, COMPOSITIONS AND USES THEREOF GABRB3, GABRB2, GABRB1 CA12 1923/4885CA2 2232/4885CA1 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.