SCHEMBL3344629

SCHEMBL3344629

CC(C)(C)OC(=O)NC1COC(C)(C)OC1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BTK Q06187 1/20 0.47
GAA P10253 2/20 0.46
CTSK P43235 2/20 0.44
HCRTR2 O43614 1/20 0.43
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
EPHX2 P34913 1/20 0.41
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
KDM1A O60341 1/20 0.39
MAOB P27338 1/20 0.39
EPHX1 P07099 1/20 0.39
KMT2A Q03164 2/20 0.37
CYP2C9 P11712 1/20 0.37
HSD11B1 P28845 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MEN1 O00255 1/20 0.36
MAPK1 P28482 1/20 0.36

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
SCHEMBL20377683 0.81 GAA (0.56) BTKGAACTSKNFKB1NFKB2
SCHEMBL31717548 0.80 BTK (0.50) BTKGAACTSKNFKB1NFKB2
SCHEMBL18756101 0.80 EPHX1 (0.48) GAAHCRTR2CA1CA2MAOB
SCHEMBL14251622 0.79 BTK (0.46) BTKGAACTSKHCRTR2NFKB1
SCHEMBL14251619 0.79 BTK (0.46) BTKGAACTSKHCRTR2NFKB1
SCHEMBL14251624 0.79 BTK (0.46) BTKGAACTSKHCRTR2NFKB1
SCHEMBL30339681 0.79 GAA (0.44) BTKGAACTSKHCRTR2NFKB1
SCHEMBL29363535 0.78 GAA (0.53) BTKGAACTSKNFKB1NFKB2
SCHEMBL16867620 0.78 HCRTR2 (0.40) BTKGAACTSKHCRTR2NFKB1
SCHEMBL16867615 0.78 HCRTR2 (0.40) BTKGAACTSKHCRTR2NFKB1

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 BTK 2072/4885GAA 4315/4885CTSK 1830/4885

“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.