SCHEMBL4932635

SCHEMBL4932635

CCOc1ccc(C(CC)N[S+]([O-])C(C)(C)C)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO1 P15559 1/20 0.41
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
SLC2A1 P11166 2/20 0.36
POLB P06746 1/20 0.36
TSHR P16473 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
ALDH1A1 P00352 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ACACB O00763 4/20 0.35
CNR2 P34972 1/20 0.35
FAAH O00519 2/20 0.35
LMNA P02545 1/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35
ACACA Q13085 1/20 0.35

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
SCHEMBL4934529 0.89 SLC2A1 (0.43) SLC2A1ALDH1A1SMN1; SMN2ACACBFAAH
SCHEMBL15806710 0.87 CHRNA7 (0.42) NQO1MEN1KMT2AL3MBTL1SLC2A1
SCHEMBL4936269 0.87 FAAH (0.41) L3MBTL1TSHRTDP1ALDH1A1FAAH
SCHEMBL30239224 0.84 ACACB (0.45) NQO1MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL4934500 0.84 ACACB (0.45) NQO1MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL17767126 0.83 PDE2A (0.42) ALDH1A1
SCHEMBL15368379 0.83 MAPK1 (0.35) MEN1KMT2AL3MBTL1TDP1ALDH1A1
SCHEMBL17767124 0.83 PDE2A (0.42) ALDH1A1
SCHEMBL4937630 0.83 MAPK1 (0.35) MEN1KMT2AL3MBTL1TDP1ALDH1A1
SCHEMBL4935671 0.81 ALDH1A1 (0.46) MEN1KMT2AALDH1A1SMN1; SMN2LMNA

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 NQO1 715/4885MEN1 4092/4885KMT2A 2323/4885
US-20070111995-A1 Pyrazolo [3,4-B] pyridine Compounds and Their Use as Phosphodiesterase Inhibitors PDE4B, PDE3B, PDE4A NQO1 362/4885MEN1 4125/4885KMT2A 2150/4885

“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.