SCHEMBL4933904

SCHEMBL4933904

CCC(N[S+]([O-])C(C)(C)C)c1ccc(C(C)C)cc1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALPL P05186 1/20 0.37
ALPI P09923 1/20 0.37
ALPG P10696 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
LMNA P02545 3/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
ALDH1A1 P00352 2/20 0.33
CRHBP P24387 1/20 0.31
CRHR2 Q13324 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
EPHX1 P07099 1/20 0.31
HTT P42858 1/20 0.31
IDO1 P14902 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
SCHEMBL4937829 0.87 ALDH1A1 (0.46) MEN1KMT2ALMNASMN1; SMN2ALDH1A1
SCHEMBL4935671 0.87 ALDH1A1 (0.46) MEN1KMT2ALMNASMN1; SMN2ALDH1A1
SCHEMBL8032599 0.85 MEN1 (0.38) MEN1KMT2ALMNASMN1; SMN2ALDH1A1
SCHEMBL4935511 0.85 L3MBTL1 (0.37) MEN1KMT2ALMNASMN1; SMN2ALDH1A1
SCHEMBL4936839 0.85 ALDH1A1 (0.38) MEN1KMT2ALMNASMN1; SMN2ALDH1A1
SCHEMBL23006109 0.85 LMNA (0.39) MEN1KMT2ALMNAALDH1A1
SCHEMBL4936269 0.83 FAAH (0.41) ALDH1A1L3MBTL1
SCHEMBL4931589 0.83 EEF2K (0.40) MEN1KMT2A
SCHEMBL4932635 0.81 NQO1 (0.41) MEN1KMT2ALMNASMN1; SMN2ALDH1A1
SCHEMBL17476845 0.80 PDE2A (0.35) ALPLALPIALPGMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080132536-A1 PYRAZOLO [3,4-B] PYRIDINE COMPOUNDS, AND THEIR USE AS PDE4 INHIBITORS GLAXO GROUP LIMITED 2008-06-05 US disclosed
US-20070111995-A1 Pyrazolo [3,4-B] pyridine Compounds and Their Use as Phosphodiesterase Inhibitors GLAXO GROUP LIMITED (GB) 2007-05-17 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 (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-20080132536-A1 PYRAZOLO [3,4-B] PYRIDINE COMPOUNDS, AND THEIR USE AS PDE4 INHIBITORS PDE4A, PDE4B, PDE4C ALPL 1228/4885ALPI 1489/4885ALPG 3702/4885
US-20070111995-A1 Pyrazolo [3,4-B] pyridine Compounds and Their Use as Phosphodiesterase Inhibitors PDE4B, PDE3B, PDE4A ALPL 1835/4885ALPI 2032/4885ALPG 2027/4885

“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.