SCHEMBL3884644

SCHEMBL3884644

Cc1ccc(S(=O)(=O)OCCOCCc2ccccc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 3/20 0.46
CA9 Q16790 4/20 0.45
CA1 P00915 3/20 0.45
CA2 P00918 2/20 0.45
ALDH1A1 P00352 2/20 0.45
CA12 O43570 3/20 0.44
BCHE P06276 1/20 0.44
ACHE P22303 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
ATM Q13315 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
CA7 P43166 1/20 0.42
MCHR1 Q99705 1/20 0.42
KCNH2 Q12809 1/20 0.40
GAA P10253 1/20 0.40
LMNA P02545 1/20 0.40
VDR P11473 1/20 0.40
FKBP1A P62942 1/20 0.40

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
SCHEMBL18530411 0.92 ALDH1A1 (0.45) CNR2CA9CA1CA2ALDH1A1
SCHEMBL29120224 0.92 CNR2 (0.46) CNR2CA9ALDH1A1CA12BCHE
SCHEMBL241683 0.91 CA9 (0.54) CNR2CA9CA1CA2ALDH1A1
SCHEMBL12595169 0.88 ALDH1A1 (0.50) CA9CA1CA2ALDH1A1CA12
SCHEMBL6267237 0.88 ALDH1A1 (0.50) CA9CA1CA2ALDH1A1CA12
SCHEMBL30869939 0.88 ALDH1A1 (0.50) CA9CA1CA2ALDH1A1CA12
SCHEMBL1219330 0.88 ALDH1A1 (0.50) CA9CA1CA2ALDH1A1CA12
SCHEMBL18428696 0.88 ALDH1A1 (0.50) CA9CA1CA2ALDH1A1CA12
SCHEMBL20958124 0.88 ALDH1A1 (0.50) CA9CA1CA2ALDH1A1CA12
SCHEMBL578733 0.88 ALDH1A1 (0.50) CA9CA1CA2ALDH1A1CA12

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090029958-A1 PHENETHANOLAMINE DERIVATIVES AS BETA2 ADRENORECEPTOR AGONISTS ASTRAZENECA AB (SE) 2009-01-29 US disclosed
EP-2013197-A1 PHENETHANOLAMINE DERIVATIVES AS BETA2 ADRENORECEPTOR AGONISTS AstraZeneca AB (SE) 2009-01-14 EP disclosed
WO-2007102771-A1 PHENETHANOLAMINE DERIVATIVES AS BETA2 ADRENORECEPTOR AGONISTS ASTRAZENECA AB (SE) 2007-09-13 WO 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 (1 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-20090029958-A1 PHENETHANOLAMINE DERIVATIVES AS BETA2 ADRENORECEPTOR AGONISTS ADRB2, ADRB1, ADRA2A CNR2 109/4885CA9 4636/4885CA1 4833/4885

“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.