SCHEMBL2032445

SCHEMBL2032445

CC(C)(C)OC(=O)C[C@@H](CC1CCOC1)C(=O)O

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
GAA P10253 1/20 0.33
RECQL P46063 1/20 0.32
CTSS P25774 2/20 0.32
CTSK P43235 2/20 0.32
BTK Q06187 1/20 0.31
CYP2D6 P10635 1/20 0.31
CPN1 P15169 1/20 0.31
CPB2 Q96IY4 1/20 0.31
HDAC3 O15379 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC2 Q92769 1/20 0.30
HDAC8 Q9BY41 1/20 0.30
HDAC6 Q9UBN7 1/20 0.30

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
SCHEMBL1914747 0.92 RECQL (0.36) KMT2AMEN1GAARECQLCTSS
SCHEMBL1914738 0.92 RECQL (0.36) KMT2AMEN1GAARECQLCTSS
SCHEMBL13904755 0.84 CTSS (0.42) KMT2AMEN1GAACTSSCTSK
SCHEMBL1915008 0.84 CTSS (0.42) KMT2AMEN1GAACTSSCTSK
SCHEMBL6945106 0.81 CTSS (0.40) KMT2AMEN1GAACTSSCTSK
SCHEMBL1915281 0.81 CTSK (0.43) KMT2AMEN1GAACTSSCTSK
SCHEMBL6945110 0.81 CTSS (0.40) KMT2AMEN1GAACTSSCTSK
SCHEMBL1915283 0.81 CTSK (0.43) KMT2AMEN1GAACTSSCTSK
SCHEMBL1914687 0.80 CTSK (0.45) KMT2AMEN1GAACTSSCTSK
SCHEMBL1704461 0.80 CTSK (0.45) KMT2AMEN1GAACTSSCTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110230477-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN TREATING METABOLIC DISORDERS EUROSCREEN S.A. (BE) 2011-09-22 US disclosed
WO-2011076732-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN TREATING GASTROINTESTINAL DISORDERS EUROSCREEN S.A. (BE) 2011-06-30 WO disclosed
WO-2010066682-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN TREATING METABOLIC DISORDERS EUROSCREEN S.A. (BE) 2010-06-17 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 (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-20110230477-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN TREATING METABOLIC DISORDERS CPT1A, LIPC, PC KMT2A 3648/4885MEN1 1084/4885GAA 60/4885

“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.