SCHEMBL4937829

SCHEMBL4937829

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

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
KCNA5 P22460 2/20 0.32
MAPT P10636 1/20 0.31
GPR139 Q6DWJ6 1/20 0.30
CYP26A1 O43174 1/20 0.30
UTS2R Q9UKP6 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
SCHEMBL4935671 1.00 ALDH1A1 (0.46) ALDH1A1LMNASMN1; SMN2MEN1KMT2A
SCHEMBL30725829 0.87 CA12 (0.36) ALDH1A1LMNASMN1; SMN2MEN1KMT2A
SCHEMBL4933904 0.87 ALPL (0.37) ALDH1A1LMNASMN1; SMN2MEN1KMT2A
SCHEMBL4935511 0.85 L3MBTL1 (0.37) ALDH1A1LMNASMN1; SMN2MEN1KMT2A
SCHEMBL4936839 0.85 ALDH1A1 (0.38) ALDH1A1LMNASMN1; SMN2MEN1KMT2A
SCHEMBL8032599 0.85 MEN1 (0.38) ALDH1A1LMNASMN1; SMN2MEN1KMT2A
SCHEMBL23006109 0.85 LMNA (0.39) ALDH1A1LMNAMEN1KMT2AKCNA5
SCHEMBL4937665 0.83 ALDH1A1 (0.30) ALDH1A1LMNASMN1; SMN2
SCHEMBL4931589 0.83 EEF2K (0.40) MEN1KMT2AKCNA5GPR139UTS2R
SCHEMBL4936269 0.83 FAAH (0.41) ALDH1A1CYP1A2CYP2D6CYP2C19KCNA5

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 ALDH1A1 842/4885LMNA 3934/4885SMN1; SMN2 4774/4885
US-20070111995-A1 Pyrazolo [3,4-B] pyridine Compounds and Their Use as Phosphodiesterase Inhibitors PDE4B, PDE3B, PDE4A ALDH1A1 1120/4885LMNA 3728/4885SMN1; 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.