SCHEMBL596183

SCHEMBL596183

N#Cc1cccc(COc2ccc3c(c2)COB3O)c1

nearest known ligand 0.69

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 8/20 0.69
PDE4A P27815 4/20 0.69
PDE4C Q08493 4/20 0.69
PDE4D Q08499 4/20 0.69
CHRM1 P11229 1/20 0.60
ADRA1A P35348 1/20 0.60
PDE1A P54750 1/20 0.60
PDE3B Q13370 1/20 0.60
PDE7A Q13946 1/20 0.60
PDE3A Q14432 1/20 0.60
KLK5 Q9Y337 3/20 0.55
MAOB P27338 3/20 0.53
MAOA P21397 2/20 0.53
FFAR1 O14842 1/20 0.49
FFAR4 Q5NUL3 1/20 0.49
GRM5 P41594 1/20 0.48
KLK1 P06870 1/20 0.47

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
SCHEMBL595583 0.87 PDE4B (0.71) PDE4BPDE4APDE4CPDE4DCHRM1
SCHEMBL5583250 0.87 PDE4B (0.71) PDE4BPDE4APDE4CPDE4DCHRM1
SCHEMBL15159873 0.84 MAOB (0.51) PDE4BPDE4APDE4CPDE4DCHRM1
SCHEMBL28244304 0.83 KLK5 (0.68) PDE4BPDE4APDE4CPDE4DCHRM1
SCHEMBL5583207 0.82 PDE4B (1.00) PDE4BPDE4APDE4CPDE4DCHRM1
SCHEMBL595173 0.82 PDE4B (1.00) PDE4BPDE4APDE4CPDE4DCHRM1
SCHEMBL2530554 0.81 PDE4B (0.71) PDE4BPDE4APDE4CPDE4DCHRM1
SCHEMBL10172454 0.80 KLK5 (0.55) PDE4BPDE4APDE4CPDE4DCHRM1
SCHEMBL28455183 0.76 PDE4B (0.61) PDE4BPDE4APDE4CPDE4DCHRM1
SCHEMBL5583384 0.76 PDE4B (0.71) PDE4BPDE4APDE4CPDE4DCHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240358728-A1 BORON CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS ANACOR PHARMACEUTICALS, LLC (US) 2024-10-31 US disclosed
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
WO-2008070257-A2 CRYSTAL STRUCTURE OF A TRNA SYNTHETASE ANACOR PHARMACEUTICALS, INC. (US) 2008-06-12 WO disclosed
WO-2007146965-A2 COMPOUNDS FOR THE TREATMENT OF PERIODONTAL DISEASE ANACOR PHARMACEUTICALS, INC. (US) 2007-12-21 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-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
WO-2007095638-A2 BORON-CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS ANACOR PHARMACEUTICALS, INC. (US) 2007-08-23 WO disclosed
WO-2007078340-A2 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC. (US) 2007-07-12 WO 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 (9 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-20240358728-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.