SCHEMBL4934643

SCHEMBL4934643

Cc1ccccc1C(C)N[S+]([O-])C(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.37
ADRB2 P07550 1/20 0.35
ALDH1A1 P00352 1/20 0.33
HDAC1 Q13547 1/20 0.32
SOS1 Q07889 1/20 0.32
HTR2A P28223 1/20 0.31
SLC6A4 P31645 1/20 0.31
ACP3 P15309 1/20 0.30
TSHR P16473 1/20 0.30
ACHE P22303 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
SCHEMBL16356143 1.00 ESR1 (0.37) ESR1ADRB2ALDH1A1HDAC1SOS1
SCHEMBL4927709 0.87 ADRA2A (0.36) TSHR
SCHEMBL30014688 0.84 SOS1 (0.31) SOS1
SCHEMBL23526117 0.84 SOS1 (0.31) SOS1
SCHEMBL23525880 0.84 SOS1 (0.31) SOS1
SCHEMBL23525881 0.84 SOS1 (0.31) SOS1
SCHEMBL23520864 0.84 SOS1 (0.31) SOS1
SCHEMBL23526122 0.84 SOS1 (0.31) SOS1
SCHEMBL23526120 0.84 SOS1 (0.31) SOS1
SCHEMBL17031936 0.83 MAPKAPK2 (0.40) ALDH1A1

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 ESR1 1119/4885ADRB2 429/4885ALDH1A1 842/4885
US-20070111995-A1 Pyrazolo [3,4-B] pyridine Compounds and Their Use as Phosphodiesterase Inhibitors PDE4B, PDE3B, PDE4A ESR1 4063/4885ADRB2 52/4885ALDH1A1 1120/4885

“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.