SCHEMBL4936839

SCHEMBL4936839

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

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.38
CYP1A2 P05177 2/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38
PKM P14618 1/20 0.38
GAA P10253 1/20 0.35
LMNA P02545 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
TAAR1 Q96RJ0 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
SCHEMBL24528963 0.88 ALDH1A1 (0.36) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL29860098 0.86 CYP1A2 (0.34) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL4935671 0.85 ALDH1A1 (0.46) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL4937829 0.85 ALDH1A1 (0.46) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL4933904 0.85 ALPL (0.37) ALDH1A1LMNASMN1; SMN2MEN1KMT2A
SCHEMBL21544922 0.85 CYP1A2 (0.38) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL21544921 0.85 CYP1A2 (0.38) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL21544919 0.85 CYP1A2 (0.38) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL4935511 0.84 L3MBTL1 (0.37) ALDH1A1HPGDLMNASMN1; SMN2MEN1
SCHEMBL8032599 0.84 MEN1 (0.38) ALDH1A1CYP2D6LMNASMN1; SMN2MEN1

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 842/4885CYP1A2 131/4885CYP3A4 25/4885
US-20070111995-A1 Pyrazolo [3,4-B] pyridine Compounds and Their Use as Phosphodiesterase Inhibitors PDE4B, PDE3B, PDE4A ALDH1A1 1120/4885CYP1A2 313/4885CYP3A4 62/4885

“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.