SCHEMBL27228232

SCHEMBL27228232

CC(C)(C)OC(=O)N1C(C)(C)CC(=O)CC1(C)C

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BUB1 O43683 1/20 0.42
USP2 O75604 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CTSK P43235 1/20 0.37
GAA P10253 2/20 0.36
CHRM2 P08172 1/20 0.35
CHRM1 P11229 1/20 0.35
CHRM3 P20309 1/20 0.35
NR1H2 P55055 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
MAPT P10636 2/20 0.33
DDB1 Q16531 2/20 0.33
CRBN Q96SW2 2/20 0.33
KDM4E B2RXH2 1/20 0.33
THRB P10828 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 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
SCHEMBL27228589 0.86 BUB1 (0.36) BUB1USP2SMN1; SMN2CTSKGAA
SCHEMBL24868488 0.85 BUB1 (0.36) BUB1USP2SMN1; SMN2CTSKGAA
SCHEMBL20705097 0.82 BUB1 (0.40) BUB1USP2SMN1; SMN2CTSKGAA
SCHEMBL22214352 0.82 BUB1 (0.40) BUB1USP2SMN1; SMN2CTSKGAA
SCHEMBL25153468 0.80 BUB1 (0.38) BUB1USP2SMN1; SMN2CTSKGAA
SCHEMBL16414303 0.80 BUB1 (0.39) BUB1USP2SMN1; SMN2CTSKGAA
SCHEMBL21244820 0.79 BUB1 (0.40) BUB1USP2SMN1; SMN2CTSKGAA
SCHEMBL27228228 0.77 BUB1 (0.37) BUB1USP2SMN1; SMN2CTSKCHRM2
SCHEMBL16468545 0.77 CTSK (0.42) BUB1USP2SMN1; SMN2CTSKCHRM2
SCHEMBL2796099 0.76 BUB1 (0.39) BUB1USP2SMN1; SMN2CTSKNR1H2

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-20240173439-A1 FLUORINE-CONTAINING COMPOUND AND CONTRAST MEDIUM TDK CORPORATION (JP) 2024-05-30 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-20240173439-A1 FLUORINE-CONTAINING COMPOUND AND CONTRAST MEDIUM AFF1, AFF2, AFF4 BUB1 2562/4885USP2 3618/4885SMN1; SMN2 930/4885

“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.