SCHEMBL3344623

SCHEMBL3344623

CC(C)(C)OC(=O)N[C]1COC(C)(C)OC1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.36
NFKB1 P19838 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34
CA1 P00915 2/20 0.34
CA2 P00918 1/20 0.34
HCRTR2 O43614 2/20 0.33
CA12 O43570 1/20 0.33
CA9 Q16790 1/20 0.33
TSHR P16473 1/20 0.33
FSHR P23945 1/20 0.33
PSMB8 P28062 1/20 0.33
CYP17A1 P05093 1/20 0.33
HCRTR1 O43613 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MAPK10 P53779 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
SCHEMBL1656241 0.75 NFKB1 (0.41) GAANFKB1NFKB2RELACA1
SCHEMBL573575 0.72 NFKB1 (0.39) GAANFKB1NFKB2RELACA1
SCHEMBL1829582 0.72 CYP17A1 (0.39) GAANFKB1NFKB2RELACA1
SCHEMBL28167286 0.71 GAA (0.38) GAANFKB1NFKB2RELACA1
SCHEMBL4603098 0.71 GAA (0.39) GAANFKB1NFKB2RELACA1
SCHEMBL3344629 0.70 BTK (0.47) GAANFKB1NFKB2RELACA1
SCHEMBL28145038 0.70 USP2 (0.37) GAAHCRTR2SMN1; SMN2
SCHEMBL2947606 0.67 GAA (0.34) GAAHCRTR2HCRTR1NPC1RAB9A
SCHEMBL12709302 0.67 GAA (0.34) GAACA2HCRTR2CA12
SCHEMBL1551115 0.67 ALDH1A1 (0.40) GAANFKB1NFKB2RELACA1

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-20100160369-A1 S1P1 Agonists and Methods of Making And Using EXELIXIS, INC. (US) 2010-06-24 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-20100160369-A1 S1P1 Agonists and Methods of Making And Using S1PR1, S1PR5, S1PR3 GAA 4315/4885NFKB1 3452/4885NFKB2 4160/4885

“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.