SCHEMBL4934529

SCHEMBL4934529

CCCOc1ccc(C(CC)N[S+]([O-])C(C)(C)C)cc1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 2/20 0.43
FAAH O00519 6/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
ALDH1A1 P00352 1/20 0.40
GPR88 Q9GZN0 1/20 0.40
KDM4E B2RXH2 1/20 0.39
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
ACACB O00763 3/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 1/20 0.38
ACACA Q13085 1/20 0.37

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
SCHEMBL4932635 0.89 NQO1 (0.41) SLC2A1FAAHSMN1; SMN2ALDH1A1CA12
SCHEMBL4936269 0.84 FAAH (0.41) FAAHALDH1A1GPR88CYP1A2CYP2D6
SCHEMBL17767126 0.81 PDE2A (0.42) ALDH1A1
SCHEMBL4937630 0.81 MAPK1 (0.35) ALDH1A1KDM4E
SCHEMBL17767124 0.81 PDE2A (0.42) ALDH1A1
SCHEMBL15806710 0.80 CHRNA7 (0.42) SLC2A1SMN1; SMN2ALDH1A1KDM4EACACB
SCHEMBL4933904 0.79 ALPL (0.37) SMN1; SMN2ALDH1A1
SCHEMBL4935671 0.79 ALDH1A1 (0.46) SMN1; SMN2ALDH1A1CYP1A2CYP2D6CYP2C19
SCHEMBL4937829 0.79 ALDH1A1 (0.46) SMN1; SMN2ALDH1A1CYP1A2CYP2D6CYP2C19
SCHEMBL21594738 0.79 SLC2A1 (0.41) SLC2A1FAAHGPR88

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 SLC2A1 4718/4885FAAH 696/4885SMN1; SMN2 4774/4885
US-20070111995-A1 Pyrazolo [3,4-B] pyridine Compounds and Their Use as Phosphodiesterase Inhibitors PDE4B, PDE3B, PDE4A SLC2A1 4314/4885FAAH 2057/4885SMN1; SMN2 3929/4885

“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.