SCHEMBL596503

SCHEMBL596503

CCOC(=O)COc1ccc2c(c1)COB2O

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 14/20 0.59
PDE4A P27815 11/20 0.55
PDE4C Q08493 11/20 0.55
PDE4D Q08499 11/20 0.55
GAA P10253 3/20 0.49
NPSR1 Q6W5P4 1/20 0.49
KDM4E B2RXH2 2/20 0.48
HSD17B10 Q99714 2/20 0.48
ALDH1A1 P00352 1/20 0.48
HPGD P15428 1/20 0.48
CASP1 P29466 1/20 0.48
KLK5 Q9Y337 1/20 0.48
CHRM1 P11229 1/20 0.46
ADRA1A P35348 1/20 0.46
PDE1A P54750 1/20 0.46
PDE3B Q13370 1/20 0.46
PDE7A Q13946 1/20 0.46
PDE3A Q14432 1/20 0.46

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
SCHEMBL12723110 0.90 CA1 (0.49) PDE4BGAAKDM4EHSD17B10ALDH1A1
SCHEMBL7863839 0.88 GAA (0.49) PDE4BGAANPSR1KDM4EHSD17B10
SCHEMBL13470653 0.84 PDE4B (0.57) PDE4BPDE4APDE4CPDE4DKLK5
SCHEMBL17878880 0.84 PDE4B (0.62) PDE4BPDE4APDE4CPDE4DKLK5
SCHEMBL596501 0.83 PDE4B (0.61) PDE4BPDE4APDE4CPDE4DHSD17B10
SCHEMBL7863673 0.82 PDE4B (0.52) PDE4BPDE4APDE4CPDE4DCHRM1
SCHEMBL2530250 0.82 PDE4B (0.72) PDE4BPDE4APDE4CPDE4DCHRM1
SCHEMBL2527995 0.81 PDE4B (0.57) PDE4BPDE4APDE4CPDE4DCHRM1
SCHEMBL7867407 0.81 PDE4B (0.51) PDE4BPDE4APDE4CPDE4DCHRM1
SCHEMBL12723195 0.78 BRD4 (0.49) PDE4BKLK5

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 96 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230008130-A1 BORON CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS ANACOR PHARMACEUTICALS, INC. (US) 2023-01-12 US disclosed
US-20230008130-A1 BORON CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS ANACOR PHARMACEUTICALS, INC. (US) 2023-01-12 US disclosed
US-20210000847-A1 BORON CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS ANACOR PHARMACEUTICALS, INC. (US) 2021-01-07 US disclosed
US-20210000847-A1 BORON CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS ANACOR PHARMACEUTICALS, INC. (US) 2021-01-07 US disclosed
US-20200179418-A1 BORON CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS ANACOR PHARMACEUTICALS, INC. (US) 2020-06-11 US disclosed
US-20200179418-A1 BORON CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS ANACOR PHARMACEUTICALS, INC. (US) 2020-06-11 US disclosed
US-20200046745-A1 BORON CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS ANACOR PHARMACEUTICALS, INC. (US) 2020-02-13 US disclosed
US-20200046745-A1 BORON CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS ANACOR PHARMACEUTICALS, INC. (US) 2020-02-13 US disclosed
US-20190282594-A1 BORON CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS ANACOR PHARMACEUTICALS, INC. (US) 2019-09-19 US disclosed
US-20190282594-A1 BORON CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS ANACOR PHARMACEUTICALS, INC. (US) 2019-09-19 US disclosed
WO-2009111676-A2 BORON-CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS ANACOR PHARMACEUTICALS, INC (US) 2009-09-11 WO disclosed
US-20070293457-A1 BORON-CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS ANACOR PHARMACEUTICALS, LLC 2007-12-20 US disclosed
US-20070293457-A1 BORON-CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS ANACOR PHARMACEUTICALS, LLC 2007-12-20 US disclosed
US-20070293457-A1 BORON-CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS ANACOR PHARMACEUTICALS, LLC 2007-12-20 US disclosed
US-20070286822-A1 Compounds for the Treatment of Periodontal Disease ANACOR PHARMACEUTICALS INC. (US) 2007-12-13 US disclosed
US-20070286822-A1 Compounds for the Treatment of Periodontal Disease ANACOR PHARMACEUTICALS INC. (US) 2007-12-13 US disclosed
US-20070286822-A1 Compounds for the Treatment of Periodontal Disease ANACOR PHARMACEUTICALS INC. (US) 2007-12-13 US disclosed
US-20070155699-A1 Boron-containing small molecules ANACOR PHARMACEUTICALS (US) 2007-07-05 US disclosed
US-20070155699-A1 Boron-containing small molecules ANACOR PHARMACEUTICALS (US) 2007-07-05 US disclosed
US-20070155699-A1 Boron-containing small molecules ANACOR PHARMACEUTICALS (US) 2007-07-05 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 (8 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-20070286822-A1 Compounds for the Treatment of Periodontal Disease BPGM, HMBS, PPIP5K2 PDE4B 1043/4885PDE4A 1049/4885PDE4C 1262/4885
US-20230008130-A1 BORON CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS NFKBIA, LITAF, LRBA PDE4B 948/4885PDE4A 1385/4885PDE4C 2189/4885
US-20200046745-A1 BORON CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS NFKBIA, LITAF, LRBA PDE4B 948/4885PDE4A 1385/4885PDE4C 2189/4885
US-20200179418-A1 BORON CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS NFKBIA, LITAF, LRBA PDE4B 948/4885PDE4A 1385/4885PDE4C 2189/4885
US-20070293457-A1 BORON-CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS NFKBIA, LITAF, TNF PDE4B 1058/4885PDE4A 1336/4885PDE4C 2209/4885
US-20070155699-A1 Boron-containing small molecules ETF1, POLR1C, DPM1 PDE4B 4444/4885PDE4A 4397/4885PDE4C 4585/4885
US-20190282594-A1 BORON CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS NFKBIA, LITAF, LRBA PDE4B 948/4885PDE4A 1385/4885PDE4C 2189/4885
US-20210000847-A1 BORON CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS NFKBIA, LITAF, LRBA PDE4B 948/4885PDE4A 1385/4885PDE4C 2189/4885

“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.