SCHEMBL2772996

SCHEMBL2772996

O=C(O)C1(C2(C(=O)O)CCCO2)CCCO1

nearest known ligand 0.38

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
FFAR3 O14843 1/20 0.32
CYP2C19 P33261 1/20 0.30

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
SCHEMBL15859206 0.78 CYP2C19 (0.32) CYP2C19
SCHEMBL174397 0.74 FFAR3 (0.32) FFAR3CYP2C19
SCHEMBL181588 0.72 CYP2C19 (0.37) FFAR3CYP2C19
SCHEMBL10788998 0.72 CYP2C19 (0.37) FFAR3CYP2C19
SCHEMBL11418133 0.72 CYP2C19 (0.37) FFAR3CYP2C19
Hydrochloric Acid SCHEMBL2198959 0.72 FFAR3 (0.31) FFAR3
Hydrochloric Acid SCHEMBL4359360 0.72 FFAR3 (0.31) FFAR3
SCHEMBL15571664 0.72
SCHEMBL11246632 0.70
SCHEMBL6111144 0.70

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1581532-B1 PYRAZOLO¬3,4-B PYRIDINE COMPOUNDS, AND THEIR USE AS PHOSPHODIESTERASE INHIBITORS GLAXO GROUP LTD (GB) 2010-04-28 EP disclosed
US-7528148-B2 Pyrazolo[3,4-B]pyridine compounds, and their use as phosphodiesterase inhibitors GLAXO GROUP LIMITED (GB) 2009-05-05 US disclosed
US-20060252790-A1 Pyrazolo [3,4-b] pyridine compounds, and their use as phosphodiesterase inhibitors GLAXO GROUP LIMITED (GB) 2006-11-09 US disclosed
EP-1581532-A1 PYRAZOLO[3,4-B]PYRIDINE COMPOUNDS, AND THEIR USE AS PHOSPHODIESTERASE INHIBITORS GLAXO GROUP LIMITED (GB) 2005-10-05 EP disclosed
WO-2004056823-A1 PYRAZOLO[3,4-b]PYRIDINE COMPOUNDS, AND THEIR USE AS PHOSPHODIESTERASE INHIBITORS GLAXO GROUP LIMITED (GB) 2004-07-08 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 (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-20060252790-A1 Pyrazolo [3,4-b] pyridine compounds, and their use as phosphodiesterase inhibitors PDE4A, PDE4B, PDE3B FFAR3 609/4885CYP2C19 125/4885

“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.