SCHEMBL3929327

SCHEMBL3929327

COC(=O)c1cc(Cl)c(OC(C)(C)C(=O)OC(C)(C)C)cc1O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.40
CA12 O43570 3/20 0.38
CA1 P00915 3/20 0.38
CA2 P00918 3/20 0.38
CA9 Q16790 3/20 0.38
CA7 P43166 2/20 0.38
CA14 Q9ULX7 2/20 0.38
PDK2 Q15119 1/20 0.38
PDK4 Q16654 1/20 0.38
ATR Q13535 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
LMNA P02545 2/20 0.36
HPGD P15428 2/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
NPY1R P25929 1/20 0.36
NPY2R P49146 1/20 0.36
RAB9A P51151 1/20 0.36
HTT P42858 2/20 0.35

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
SCHEMBL3938174 0.86 CA1 (0.35) CA12CA1CA2CA9CA7
SCHEMBL3725124 0.86 KDM4E (0.34) CA12CA1CA2CA9SMN1; SMN2
SCHEMBL2793251 0.77 GAA (0.58) GAACA12CA1CA2CA9
SCHEMBL3929329 0.74 HTT (0.37) GAACA12CA1CA2CA9
SCHEMBL25304499 0.73 SLC6A3 (0.49) GAACA1CA2CA9SMN1; SMN2
SCHEMBL7415528 0.73 CA12 (0.55) GAACA12CA1CA2CA9
SCHEMBL2424582 0.73 LMNA (0.38) CA1CA2SMN1; SMN2LMNAHPGD
SCHEMBL3661787 0.72 HTT (0.46) GAACA12CA1CA2CA9
SCHEMBL30463099 0.71 CA12 (0.53) GAACA12CA1CA2CA9
SCHEMBL2726967 0.71 CA12 (0.53) GAACA12CA1CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101553493-A Novel tricyclic spiropiperidine compounds, their synthesis and their use as modulators of chemokine receptor activity ASTRAZENECA AB (SE) 2009-10-07 CN claimed
CN-101553493-B Tricyclic spiropiperidine compounds, their synthesis and their use as modulators of chemokine receptor activity ASTRAZENECA AB 2012-07-04 CN disclosed
CN-101553493-A Novel tricyclic spiropiperidine compounds, their synthesis and their use as modulators of chemokine receptor activity ASTRAZENECA AB (SE) 2009-10-07 CN disclosed
US-20090176815-A1 Novel Tricyclic Spiropiperidine Compounds, Their Synthesis and Their Uses as Modulators of Chemokine Receptor Activity ASTRAZENECA AB (SE) 2009-07-09 US disclosed
US-20090176815-A1 Novel Tricyclic Spiropiperidine Compounds, Their Synthesis and Their Uses as Modulators of Chemokine Receptor Activity ASTRAZENECA AB (SE) 2009-07-09 US disclosed
US-20090176815-A1 Novel Tricyclic Spiropiperidine Compounds, Their Synthesis and Their Uses as Modulators of Chemokine Receptor Activity ASTRAZENECA AB (SE) 2009-07-09 US disclosed
EP-2069355-A1 NOVEL TRICYCLIC SPIROPIPERIDINE COMPOUNDS, THEIR SYNTHESIS AND THEIR USES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY AstraZeneca AB (SE) 2009-06-17 EP disclosed
WO-2009011654-A1 PROCESS FOR THE PREPARATION OF CYCLIC SPIROPIPERIDINES ASTRAZENECA AB (SE) 2009-01-22 WO disclosed
WO-2009011654-A1 PROCESS FOR THE PREPARATION OF CYCLIC SPIROPIPERIDINES ASTRAZENECA AB (SE) 2009-01-22 WO disclosed
WO-2009011655-A1 SPLROPIPERIDINE COMPOUNDS, A PROCESS OF THEIR PREPARATION, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THE TREATMENT OF AIRWAY DISEASES, INFLAMMATORY DISEASES, COPD OR ASTHMA ASTRAZENECA AB (SE) 2009-01-22 WO disclosed
WO-2009011655-A1 SPLROPIPERIDINE COMPOUNDS, A PROCESS OF THEIR PREPARATION, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THE TREATMENT OF AIRWAY DISEASES, INFLAMMATORY DISEASES, COPD OR ASTHMA ASTRAZENECA AB (SE) 2009-01-22 WO disclosed
US-20080167332-A1 Novel Compounds 243 ASTRAZENECA AB (SE) 2008-07-10 US disclosed
US-20080167332-A1 Novel Compounds 243 ASTRAZENECA AB (SE) 2008-07-10 US disclosed
US-20080167332-A1 Novel Compounds 243 ASTRAZENECA AB (SE) 2008-07-10 US disclosed
WO-2008010765-A1 NOVEL TRICYCLIC SPIROPIPERIDINE COMPOUNDS, THEIR SYNTHESIS AND THEIR USES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY ASTRAZENECA AB (SE) 2008-01-24 WO disclosed
WO-2008010765-A1 NOVEL TRICYCLIC SPIROPIPERIDINE COMPOUNDS, THEIR SYNTHESIS AND THEIR USES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY ASTRAZENECA AB (SE) 2008-01-24 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 (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-20080167332-A1 Novel Compounds 243 UGT1A10, ABCG2, VKORC1L1 GAA 1758/4885CA12 3549/4885CA1 4463/4885
US-20090176815-A1 Novel Tricyclic Spiropiperidine Compounds, Their Synthesis and Their Uses as Modulators of Chemokine Receptor Activity ACKR3, CCR2, CCR5 GAA 4858/4885CA12 4542/4885CA1 4346/4885

“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.