SCHEMBL2964684

SCHEMBL2964684

O=C(O)N(C1CC1)S(=O)(=O)c1ccccc1Br

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.49
TDP1 Q9NUW8 4/20 0.45
ATM Q13315 1/20 0.45
KMT2A Q03164 4/20 0.43
MEN1 O00255 3/20 0.43
MAPT P10636 2/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA4 P22748 1/20 0.42
CA6 P23280 1/20 0.42
POLB P06746 2/20 0.41
PLCG1 P19174 1/20 0.40
EPHX2 P34913 1/20 0.37
PTGDR Q13258 1/20 0.36
C1R P00736 1/20 0.36
HSD11B1 P28845 1/20 0.36
HTR6 P50406 1/20 0.35
AKR1C3 P42330 1/20 0.34

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
SCHEMBL925152 0.80 NPSR1 (0.47) L3MBTL1TDP1ATMKMT2AMEN1
SCHEMBL2335117 0.76 HTR2A (0.54) L3MBTL1TDP1ATMKMT2AMEN1
SCHEMBL6678379 0.71 L3MBTL1 (0.51) L3MBTL1TDP1ATMKMT2AMEN1
SCHEMBL15916018 0.71 L3MBTL1 (0.45) L3MBTL1TDP1ATMKMT2AMEN1
SCHEMBL17075716 0.68 MAPT (0.58) L3MBTL1KMT2AMEN1MAPTPOLB
SCHEMBL17075715 0.68 MAPT (0.58) L3MBTL1KMT2AMEN1MAPTPOLB
SCHEMBL27140352 0.68 LMNA (0.42) KMT2AMEN1
SCHEMBL6632929 0.68 L3MBTL1 (0.45) L3MBTL1TDP1ATMKMT2AMEN1
SCHEMBL1925919 0.68 L3MBTL1 (0.48) L3MBTL1TDP1KMT2AMEN1MAPT
SCHEMBL28750157 0.67 CA1 (0.52) L3MBTL1TDP1ATMKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE44874-E1 Phenethanolamine derivatives for treatment of respiratory diseases GLAXO GROUP LIMITED (GB) 2014-04-29 US disclosed
EP-2042168-B1 Inhalation formulation comprising phenethanolamine derivatives for the treatment of respiratory diseases GLAXO GROUP LTD (GB) 2013-10-23 EP disclosed
US-7776895-B2 Inhalation devices for delivering phenethanolamine derivatives for the treatment of respiratory diseases GLAXO GROUP LIMITED (GB) 2010-08-17 US disclosed
EP-2042168-A1 Inhalation device comprising phenethanolamine derivatives for treatment of respiratory diseases Glaxo Group Limited (GB) 2009-04-01 EP disclosed
US-20090068273-A1 Inhalation devices for delivering phenethanolamine derivatives for the treatment of respiratory diseases GLAXO GROUP LIMITED (GB) 2009-03-12 US disclosed
EP-1425001-B1 PHENETHANOLAMINE DERIVATIVES FOR TREATMENT OF RESPIRATORY DISEASES GLAXO GROUP LTD (GB) 2008-12-17 EP disclosed
US-7439393-B2 Phenethanolamine derivatives for treatment of respiratory diseases GLAXO GROUP LIMITED (GB) 2008-10-21 US disclosed
US-7361787-B2 Phenethanolamine derivatives for treatment of respiratory diseases GLAXO GROUP LIMITED (GB) 2008-04-22 US disclosed
US-20080003290-A1 Phenethanolamine Derivatives for Treatment of Respiratory Diseases GLAXO GROUP LIMITED (GB) 2008-01-03 US disclosed
US-20050075394-A1 Phenethanolamine derivatives for treatment of respiratory diseases GLAXO GROUP LIMITED (GB) 2005-04-07 US disclosed
WO-2004039762-A1 PHENETHANOLAMINE DERIVATIVES FOR THE TREATMENT OF RESPIRATORY DISEASES GLAXO GROUP LIMITED (GB) 2004-05-13 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 (3 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-20080003290-A1 Phenethanolamine Derivatives for Treatment of Respiratory Diseases PHOSPHO1, PNMT, PEBP1 L3MBTL1 3675/4885TDP1 3374/4885ATM 3245/4885
US-20050075394-A1 Phenethanolamine derivatives for treatment of respiratory diseases PHOSPHO1, PNMT, PEBP1 L3MBTL1 3904/4885TDP1 3709/4885ATM 3073/4885
US-20090068273-A1 Inhalation devices for delivering phenethanolamine derivatives for the treatment of respiratory diseases PNMT, CHRM3, HRH4 L3MBTL1 741/4885TDP1 3712/4885ATM 4428/4885

“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.