SCHEMBL4935511

SCHEMBL4935511

CCc1ccc([C@H](CC)N[S+]([O-])C(C)(C)C)cc1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.37
ATM Q13315 2/20 0.37
TSHR P16473 1/20 0.37
MAPK1 P28482 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
ALDH1A1 P00352 3/20 0.33
TAOK1 Q7L7X3 1/20 0.33
TAOK3 Q9H2K8 1/20 0.33
ADRB2 P07550 1/20 0.33
LMNA P02545 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ADRB1 P08588 1/20 0.32
CRHBP P24387 1/20 0.31
CRHR2 Q13324 1/20 0.31
MEN1 O00255 2/20 0.30
KMT2A Q03164 2/20 0.30
CYP17A1 P05093 1/20 0.30
CA2 P00918 1/20 0.30
HPGD P15428 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
SCHEMBL4933904 0.85 ALPL (0.37) L3MBTL1ALDH1A1LMNASMN1; SMN2CRHBP
SCHEMBL4935671 0.85 ALDH1A1 (0.46) ALDH1A1LMNASMN1; SMN2MEN1KMT2A
SCHEMBL4937829 0.85 ALDH1A1 (0.46) ALDH1A1LMNASMN1; SMN2MEN1KMT2A
SCHEMBL8032599 0.84 MEN1 (0.38) ALDH1A1LMNASMN1; SMN2MEN1KMT2A
SCHEMBL4936839 0.84 ALDH1A1 (0.38) ALDH1A1LMNASMN1; SMN2MEN1KMT2A
SCHEMBL23006109 0.83 LMNA (0.39) TSHRTDP1ALDH1A1LMNAMEN1
SCHEMBL4935512 0.82 ALDH1A1 (0.39) L3MBTL1ATMTSHRMAPK1TDP1
SCHEMBL29472423 0.82 ALDH1A1 (0.39) L3MBTL1ATMTSHRMAPK1TDP1
SCHEMBL28661825 0.82 ALDH1A1 (0.39) L3MBTL1ATMTSHRMAPK1TDP1
SCHEMBL28661824 0.82 ALDH1A1 (0.39) L3MBTL1ATMTSHRMAPK1TDP1

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 L3MBTL1 3771/4885ATM 3261/4885TSHR 2228/4885
US-20070111995-A1 Pyrazolo [3,4-B] pyridine Compounds and Their Use as Phosphodiesterase Inhibitors PDE4B, PDE3B, PDE4A L3MBTL1 4664/4885ATM 2294/4885TSHR 1576/4885

“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.