SCHEMBL4594516

SCHEMBL4594516

CC(C)(C)OC(=O)N1[C@@H](CC(=O)O)COC1(C)C

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 1/20 0.48
HSD11B2 P80365 1/20 0.38
BRD4 O60885 1/20 0.37
CHRM2 P08172 1/20 0.35
CHRM1 P11229 1/20 0.35
CHRM3 P20309 1/20 0.35
HCRTR2 O43614 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
USP2 O75604 1/20 0.33
DDB1 Q16531 1/20 0.33
CRBN Q96SW2 1/20 0.33
NR1H2 P55055 1/20 0.33
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
KDM4E B2RXH2 1/20 0.31
PKM P14618 1/20 0.31
RECQL P46063 1/20 0.31
CTSK P43235 1/20 0.31

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
SCHEMBL16325799 0.90 SPHK1 (0.49) SPHK1HSD11B2BRD4CHRM2CHRM1
SCHEMBL13613722 0.90 SPHK1 (0.49) SPHK1HSD11B2BRD4CHRM2CHRM1
SCHEMBL28067987 0.90 SPHK1 (0.49) SPHK1HSD11B2BRD4CHRM2CHRM1
SCHEMBL2328927 0.86 SPHK1 (0.46) SPHK1HSD11B2BRD4CHRM2CHRM1
SCHEMBL1863728 0.86 SPHK1 (0.46) SPHK1HSD11B2BRD4CHRM2CHRM1
SCHEMBL1863729 0.86 SPHK1 (0.46) SPHK1HSD11B2BRD4CHRM2CHRM1
SCHEMBL14489664 0.86 SPHK1 (0.46) SPHK1HSD11B2BRD4CHRM2CHRM1
SCHEMBL2328925 0.86 SPHK1 (0.46) SPHK1HSD11B2BRD4CHRM2CHRM1
SCHEMBL1526136 0.85 SPHK1 (0.50) SPHK1HSD11B2BRD4CHRM2CHRM1
SCHEMBL20621505 0.85 SPHK1 (0.53) SPHK1HSD11B2BRD4CHRM2CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1539731-B9 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2008-08-20 EP disclosed
EP-1539731-B1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2008-01-02 EP disclosed
US-20050203172-A1 Novel compounds ASTRAZENECA AB (SE) 2005-09-15 US disclosed
US-20040242871-A1 Novel arylheteroalkylamine derivatives ASTRAZENECA AB (SE) 2004-12-02 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-20040242871-A1 Novel arylheteroalkylamine derivatives CYP1A1, NOS3, NOS1 SPHK1 1994/4885HSD11B2 894/4885BRD4 3935/4885
US-20050203172-A1 Novel compounds NOS3, NOS1, NOS2 SPHK1 2232/4885HSD11B2 1665/4885BRD4 3901/4885

“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.