SCHEMBL21168987

SCHEMBL21168987

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 4/20 0.39
CA12 O43570 4/20 0.39
CA1 P00915 3/20 0.39
CA9 Q16790 2/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
GAA P10253 1/20 0.38
CA14 Q9ULX7 2/20 0.37
TDP1 Q9NUW8 1/20 0.36
TSHR P16473 4/20 0.36
CA7 P43166 1/20 0.35
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
CTSK P43235 2/20 0.35
RECQL P46063 1/20 0.34
ALDH1A1 P00352 2/20 0.34
CAPN1 P07384 1/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
CTSL P07711 1/20 0.33

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
SCHEMBL18668826 0.90 MEN1 (0.40) CA2CA12CA1CA9MEN1
SCHEMBL18360387 0.86 CTSK (0.45) CA2CA12CA1CA9MEN1
SCHEMBL28542473 0.86 CA12 (0.41) CA2CA12CA1CA9MEN1
SCHEMBL18360392 0.83 MEN1 (0.44) CA2CA12CA1CA9MEN1
SCHEMBL23072531 0.82 ALDH1A1 (0.40) MEN1KMT2ACTSKALDH1A1MAPT
SCHEMBL18686244 0.82 SYK (0.48) MEN1KMT2AGAACTSKMAPT
SCHEMBL22699903 0.82 ALDH1A1 (0.40) MEN1KMT2ACTSKALDH1A1MAPT
SCHEMBL22971405 0.80 CYP1A2 (0.48) CA2CA1MEN1KMT2AGAA
SCHEMBL18687105 0.80 CYP1A2 (0.48) CA2CA1MEN1KMT2AGAA
SCHEMBL21168988 0.80 CA12 (0.42) CA2CA12CA1CA9MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (1 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-20190218168-A1 PRODRUGS OF GAMMA-HYDROXYBUTYRIC ACID, COMPOSITIONS AND USES THEREOF GABRB3, GABRB2, GABRB1 CA2 2232/4885CA12 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.