SCHEMBL29623702

SCHEMBL29623702

CCOc1cc2cc(CO)c(CO)c(-c3ccn(CCOC)c(=O)c3)c2cc1OCC

nearest known ligand 0.70

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 20/20 0.70
PDE4B Q07343 20/20 0.70
PDE4C Q08493 20/20 0.70
PDE4D Q08499 20/20 0.70
PDE3B Q13370 20/20 0.70
PDE3A Q14432 20/20 0.70
PDE5A O76074 19/20 0.70
PDE1A P54750 14/20 0.50
PDE1B Q01064 14/20 0.50
PDE1C Q14123 14/20 0.50
PDE2A O00408 2/20 0.46
PDE7A Q13946 1/20 0.46
PDE7B Q9NP56 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
SCHEMBL155132 1.00 PDE4A (0.70) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7285109 0.97 PDE4A (0.75) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL2473235 0.91 PDE4A (0.71) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL15085278 0.90 PDE5A (0.57) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7289581 0.86 PDE4A (0.60) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL15085332 0.86 PDE4A (0.53) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL12013957 0.83 PDE4A (0.60) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7287261 0.82 PDE4A (1.00) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7285598 0.79 PDE4A (0.76) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7279127 0.77 PDE4A (0.74) PDE4APDE4BPDE4CPDE4DPDE3B

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-12168009-B2 Modulators of cystic fibrosis transmembrane conductance regulator VERTEX PHARMACEUTICALS INCORPORATED (US) 2024-12-17 US disclosed
CN-110840847-B Pharmaceutical compositions for the treatment of cystic fibrosis transmembrane conductance regulator mediated diseases 沃泰克斯药物股份有限公司 2022-07-29 CN disclosed
CN-110713489-B Heteroaryl SYK inhibitors 勃林格殷格翰国际有限公司 2022-05-31 CN disclosed
CN-110183440-B Heteroaryl SYK inhibitors 勃林格殷格翰国际有限公司 2022-04-22 CN 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-12168009-B2 Modulators of cystic fibrosis transmembrane conductance regulator CFTR, SCNN1B, SLC26A4 PDE4A 357/4885PDE4B 399/4885PDE4C 506/4885

“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.