SCHEMBL532111

SCHEMBL532111

COc1cc(B2OC(C)(C)C(C)(C)O2)ccc1OC1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 10/20 0.59
PDE4D Q08499 4/20 0.59
PDE4A P27815 3/20 0.59
PDE4C Q08493 3/20 0.59
USP30 Q70CQ3 1/20 0.49
GPR119 Q8TDV5 3/20 0.46
KDM1A O60341 1/20 0.44
STS P08842 1/20 0.44
PIK3CD O00329 2/20 0.44
PIK3CA P42336 2/20 0.44
PIK3CB P42338 2/20 0.44
PIK3CG P48736 2/20 0.44
CACNB4 O00305 1/20 0.43
CACNA1A O00555 1/20 0.43
CACNA1G O43497 1/20 0.43
CACNG3 O60359 1/20 0.43
CACNA1F O60840 1/20 0.43
CACNA1H O95180 1/20 0.43
CACNB3 P54284 1/20 0.43
CACNA2D1 P54289 1/20 0.43

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
SCHEMBL23121817 0.92 PDE4B (0.54) PDE4BPDE4DPDE4APDE4CUSP30
SCHEMBL14862081 0.88 USP30 (0.51) PDE4BPDE4DPDE4APDE4CUSP30
SCHEMBL12801187 0.88 USP30 (0.49) PDE4BPDE4DPDE4APDE4CUSP30
SCHEMBL13717948 0.88 GPR119 (0.58) PDE4BPDE4DPDE4APDE4CUSP30
SCHEMBL23121835 0.88 PDE4B (0.48) PDE4BPDE4DPDE4APDE4CUSP30
SCHEMBL16292233 0.87 GPR119 (0.54) PDE4BPDE4DPDE4APDE4CUSP30
SCHEMBL23122024 0.86 USP30 (0.49) PDE4BPDE4DPDE4APDE4CUSP30
SCHEMBL1668076 0.86 TBK1 (0.49) PDE4BPDE4DPDE4APDE4CUSP30
SCHEMBL23134750 0.85 USP30 (0.49) PDE4BPDE4DPDE4APDE4CUSP30
SCHEMBL30009498 0.85 USP30 (0.49) PDE4BPDE4DPDE4APDE4CUSP30

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220315578-A1 BRD9 BIFUNCTIONAL DEGRADERS AND THEIR METHODS OF USE NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH, INC. 2022-10-06 US disclosed
EP-4041724-A1 BRD9 BIFUNCTIONAL DEGRADERS AND THEIR METHODS OF USE Novartis AG (CH) 2022-08-17 EP disclosed
CN-114641473-A BRD9 bifunctional degradation agent and use method thereof 诺华股份有限公司 2022-06-17 CN disclosed
WO-2021055295-A1 BRD9 BIFUNCTIONAL DEGRADERS AND THEIR METHODS OF USE NOVARTIS AG (CH) 2021-03-25 WO disclosed
WO-2021055295-A1 BRD9 BIFUNCTIONAL DEGRADERS AND THEIR METHODS OF USE NOVARTIS AG (CH) 2021-03-25 WO disclosed
EP-2414369-B1 IMIDAZO[2,1-B][1,3,4]THIADIAZOLE DERIVATIVES FUNDACIÓN CT NAC DE INVESTIGACIONES ONCOLÓGICAS CARLOS III (ES) 2015-08-12 EP disclosed
US-8815918-B2 Imidazo [2, 1-B] [1, 3, 4] thiadiazole derivatives CENTRO NACIONAL DE INVESTIGACIONES ONCOLOGICAS (CNIO) (ES) 2014-08-26 US disclosed
US-20120094996-A1 Imidazo [2, 1-B] [1, 3, 4] Thiadiazole Derivatives CENTRO NACIONAL DE INVESTIGACIONES ONCOLOGICAS (CNIO) (ES) 2012-04-19 US disclosed
EP-2414369-A1 IMIDAZO [2, 1-B][ 1, 3, 4]THIADIAZOLE DERIVATIVES Centro Nacional de Investigaciones Oncológicas (CNIO) (ES) 2012-02-08 EP disclosed
WO-2010112874-A1 IMIDAZO [2, 1-B] [ 1, 3, 4 ] THIADIAZOLE DERIVATIVES CENTRO NACIONAL DE INVESTIGACIONES ONCOLOGICAS (CNIO) (ES) 2010-10-07 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-20220315578-A1 BRD9 BIFUNCTIONAL DEGRADERS AND THEIR METHODS OF USE BRD9, BRD2, BRD1 PDE4B 2713/4885PDE4D 2795/4885PDE4A 3416/4885
US-20120094996-A1 Imidazo [2, 1-B] [1, 3, 4] Thiadiazole Derivatives PIK3CA, PI4KA, PIK3CD PDE4B 1069/4885PDE4D 1474/4885PDE4A 1044/4885

“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.