SCHEMBL4812059

SCHEMBL4812059

NS(=O)(=O)c1cccc(I)c1I

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA2 P00918 15/20 0.47
CA1 P00915 12/20 0.47
CA9 Q16790 11/20 0.47
CA12 O43570 6/20 0.46
CA6 P23280 5/20 0.46
CA5A P35218 5/20 0.46
CA4 P22748 4/20 0.46
CA7 P43166 4/20 0.46
CA5B Q9Y2D0 4/20 0.46
CA14 Q9ULX7 3/20 0.46
CYP2C9 P11712 1/20 0.46
CDK2 P24941 1/20 0.45
MAPK1 P28482 1/20 0.41
STAT3 P40763 1/20 0.40
LDHA P00338 1/20 0.36
CA3 P07451 1/20 0.36
PLA2G7 Q13093 1/20 0.36
CA13 Q8N1Q1 1/20 0.36

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
SCHEMBL1471236 0.81 CA2 (0.56) CA2CA1CA9CA12CA6
SCHEMBL29469861 0.81 CA2 (0.56) CA2CA1CA9CA12CA6
SCHEMBL9262066 0.81 GAA (0.41) CA2CA1CA9CA12CA6
SCHEMBL28787703 0.78 CDK2 (0.62) CA2CA1CA9CA12CA6
SCHEMBL19309899 0.78 CA2 (0.44) CA2CA1CA9CA12CA6
SCHEMBL4177589 0.78 CA2 (0.44) CA2CA1CA9CA12CA6
SCHEMBL18297706 0.78 PTGES2 (0.47) CA2CA1CA9CA12CA6
SCHEMBL7942928 0.77 TTR (0.44) CDK2
Hydrochloric Acid SCHEMBL27788430 0.77 CDK2 (0.60) CA2CA1CA9CA12CA6
SCHEMBL7283144 0.75 CA2 (0.41) CA2CA1CA9CA12CA6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7442719-B2 Methods using phenethanolamine derivatives for treatment of respiratory diseases GLAXO GROUP LIMITED (GB) 2008-10-28 US disclosed
US-7442837-B2 Phenethanolamine derivatives for treatment of respiratory diseases GLAXO GROUP LIMITED (GB) 2008-10-28 US disclosed
US-7442836-B2 Prophylaxis of respiratory disorders and therapy, also metod of synthesis and composition with PDE4 inhibitor, corticosteroid hibitor or anticholinergic agent GLAXO GROUP LIMITED (GB) 2008-10-28 US disclosed
US-20070004807-A1 e.g. 2-[9-chloro-6-(3-hydroxy-3-methylbutyl-1-yn-1-yl)-1H-phenanthro[9,10-d]imidazol-2-yl]-3-fluorobenzonitrile; microsomal prostaglandin E synthase inhibitor; analgesic, antiinflammatory agent; osteoarthritis, rheumatoid arthritis and acute or chronic pain; side effect reducer GLAXO GROUP LIMITED (GB) 2007-01-04 US disclosed
US-20060287389-A1 PHENETHANOLAMINE DERIVATIVES FOR TREATMENT OF RESPIRATORY DISEASES GLAXO GROUP LIMITED (GB) 2006-12-21 US disclosed
US-20060287286-A1 PHENETHANOLAMINE DERIVATIVES FOR TREATMENT OF RESPIRATORY DISEASES GLAXO GROUP LIMITED (GB) 2006-12-21 US disclosed
US-7135600-B2 Selective beta 2-adrenoreceptor agonists; rapid onset of action, long duration; such as 3-(4-{[6-{(-2-hydroxy-2-[4-hydroxy-3-(hydroxymethyl)phenyl]ethyl}amino)hexyl]oxy}butyl)benzenesulfonamide; synthesis GLAXO GROUP LIMITED (GB) 2006-11-14 US disclosed
US-20040180876-A1 Phenethanolamine derivatives for treatment of respiratory diseases GLAXO GROUP LIMITED (GB) 2004-09-16 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 (4 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-20060287389-A1 PHENETHANOLAMINE DERIVATIVES FOR TREATMENT OF RESPIRATORY DISEASES PHOSPHO1, PNMT, PEBP1 CA2 3533/4885CA1 4866/4885CA9 4095/4885
US-20060287286-A1 PHENETHANOLAMINE DERIVATIVES FOR TREATMENT OF RESPIRATORY DISEASES PHOSPHO1, PNMT, PEBP1 CA2 3533/4885CA1 4866/4885CA9 4095/4885
US-20040180876-A1 Phenethanolamine derivatives for treatment of respiratory diseases PHOSPHO1, PNMT, PEBP1 CA2 3533/4885CA1 4866/4885CA9 4095/4885
US-20070004807-A1 e.g. 2-[9-chloro-6-(3-hydroxy-3-methylbutyl-1-yn-1-yl)-1H-phenanthro[9,10-d]imidazol-2-yl]-3-fluorobenzonitrile; microsomal prostaglandin E synthase inhibitor; analgesic, antiinflammatory agent; osteoarthritis, rheumatoid arthritis and acute or chronic pain; side effect reducer PTGS1, PTGES, PTGES2 CA2 1845/4885CA1 3365/4885CA9 2316/4885

“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.