SCHEMBL2250561

SCHEMBL2250561

CC(C)(C)OC(=O)C[C@H]1CN(C(=O)OC(C)(C)C)CCC1=O

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DDB1 Q16531 2/20 0.45
CRBN Q96SW2 2/20 0.45
NR1H2 P55055 2/20 0.40
MAPT P10636 2/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
KMT2A Q03164 1/20 0.40
USP2 O75604 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ESR2 Q92731 1/20 0.39
KDM4E B2RXH2 2/20 0.38
THRB P10828 1/20 0.38
HPGD P15428 1/20 0.37
SETD7 Q8WTS6 1/20 0.36
JAK2 O60674 1/20 0.36
JAK1 P23458 1/20 0.36
GPR119 Q8TDV5 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
SCHEMBL2250558 1.00 DDB1 (0.45) DDB1CRBNNR1H2MAPTMEN1
SCHEMBL6023255 0.92 DDB1 (0.44) DDB1CRBNNR1H2MAPTMEN1
SCHEMBL19331754 0.86 DDB1 (0.44) DDB1CRBNNR1H2MAPTMEN1
SCHEMBL19342217 0.86 DDB1 (0.40) DDB1CRBNNR1H2MAPTMEN1
SCHEMBL28461374 0.86 DDB1 (0.41) DDB1CRBNNR1H2MAPTMEN1
SCHEMBL656014 0.86 DDB1 (0.44) DDB1CRBNNR1H2MAPTMEN1
SCHEMBL31339121 0.86 NR1H2 (0.49) DDB1CRBNNR1H2MAPTMEN1
SCHEMBL19342216 0.85 DDB1 (0.42) DDB1CRBNNR1H2MAPTMEN1
SCHEMBL2255165 0.85 DDB1 (0.42) DDB1CRBNNR1H2MAPTMEN1
SCHEMBL2255164 0.85 DDB1 (0.42) DDB1CRBNNR1H2MAPTMEN1

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
US-7999115-B2 Spiro antibiotic derivatives ACTELION PHARMACEUTICAL LTD. (SE) 2011-08-16 US disclosed
US-20090270375-A1 SPIRO ANTIBIOTIC DERIVATIVES ACTELION PHARMACEUTICALS LTD. (CH) 2009-10-29 US disclosed
EP-2066678-A1 SPIRO ANTIBIOTIC DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2009-06-10 EP disclosed
WO-2008026172-A1 SPIRO ANTIBIOTIC DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2008-03-06 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-20090270375-A1 SPIRO ANTIBIOTIC DERIVATIVES NR0B1, NRDC, NR4A1 DDB1 670/4885CRBN 40/4885NR1H2 19/4885

“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.