SCHEMBL4933332

SCHEMBL4933332

Cc1ccc(/C=N/[S+]([O-])C(C)(C)C)cc1C

nearest known ligand 0.34

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.34
▸ TUBB1 Q9H4B7 3/20 0.33
▸ GPR3 P46089 1/20 0.33

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
SCHEMBL4933334 1.00 ALDH1A1 (0.34) ALDH1A1TUBB1GPR3
SCHEMBL29089985 0.85 MAPK1 (0.32) ALDH1A1GPR3
SCHEMBL12373121 0.85 TSHR (0.33) ALDH1A1GPR3
SCHEMBL29089982 0.85 MAPK1 (0.32) ALDH1A1GPR3
SCHEMBL15180598 0.85 GPR3 (0.30) GPR3
SCHEMBL14855284 0.85 GPR3 (0.30) GPR3
SCHEMBL15185153 0.85 GPR3 (0.30) GPR3
SCHEMBL29610667 0.85 MAPK1 (0.32) ALDH1A1GPR3
SCHEMBL14855286 0.85 GPR3 (0.30) GPR3
SCHEMBL24036549 0.83 NPFFR1 (0.34) —

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 842/4885TUBB1 3311/4885GPR3 290/4885
US-20070111995-A1 Pyrazolo [3,4-B] pyridine Compounds and Their Use as Phosphodiesterase Inhibitors PDE4B, PDE3B, PDE4A ALDH1A1 1120/4885TUBB1 3027/4885GPR3 450/4885

“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.

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