SCHEMBL1542775

SCHEMBL1542775

NS(=O)(=O)Cc1ccc(I)cc1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA2 P00918 10/20 0.60
CA1 P00915 9/20 0.60
CA9 Q16790 8/20 0.60
CA5A P35218 3/20 0.60
KIF11 P52732 1/20 0.50
CYP3A4 P08684 2/20 0.43
IDO1 P14902 2/20 0.43
RECQL P46063 1/20 0.38
CA7 P43166 4/20 0.37
CA14 Q9ULX7 3/20 0.37
CA12 O43570 3/20 0.37
APP P05067 1/20 0.37
CA4 P22748 1/20 0.37
CA6 P23280 1/20 0.37
CA5B Q9Y2D0 1/20 0.37
F2 P00734 1/20 0.36
PRSS1 P07477 1/20 0.36
PRSS2 P07478 1/20 0.36
PRSS3 P35030 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
SCHEMBL4573294 0.78 CA2 (0.62) CA2CA1CA9CA5AKIF11
SCHEMBL2984207 0.78 CA1 (0.62) CA2CA1CA9CA5AKIF11
SCHEMBL5725397 0.77 RECQL (0.64) CA2CA1CA9CA5ACYP3A4
SCHEMBL4573291 0.76 CA2 (0.60) CA2CA1CA9CA5AKIF11
SCHEMBL22266036 0.76 CA2 (0.60) CA2CA1CA9CA5AKIF11
SCHEMBL514279 0.76 RCE1 (0.38) CA2CA1CA9CYP3A4IDO1
SCHEMBL3126969 0.76 CA1 (0.40) CA2CA1CA9CYP3A4IDO1
SCHEMBL22266022 0.76 CA2 (0.61) CA2CA1CA9CA5AKIF11
SCHEMBL1645091 0.76 CA1 (0.60) CA2CA1CA9CA5AKIF11
SCHEMBL2444207 0.76 CA2 (0.60) CA2CA1CA9CA5AKIF11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106065009-B Application as the compound of hepatitis c inhibitor and its in drug 广东东阳光药业有限公司 2019-03-01 CN disclosed
WO-2015197028-A1 COMPOUNDS AS HEPATITIS C VIRUS (HCV) INHIBITORS AND USES THEREOF IN MEDICINE SUNSHINE LAKE PHARMA CO., LTD. (CN) 2015-12-30 WO disclosed
US-8273773-B2 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC (US) 2012-09-25 US disclosed
EP-2307372-B1 HETEROCYCLIC ANTIVIRAL COMPOUNDS HOFFMANN LA ROCHE (CH) 2012-04-25 EP disclosed
EP-2307372-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS F. Hoffmann-La Roche AG (CH) 2011-04-13 EP disclosed
EP-2222646-A1 URACIL OR THYMINE DERIVATIVE FOR TREATING HEPATITIS C Abbott Laboratories (US) 2010-09-01 EP disclosed
WO-2010010017-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2010-01-28 WO disclosed
US-20100021423-A1 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC 2010-01-28 US disclosed
WO-2009039127-A1 URACIL OR THYMINE DERIVATIVE FOR TREATING HEPATITIS C ABBOTT LABORATORIES (US) 2009-03-26 WO disclosed
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
EP-1360174-A1 PHENETHANOLAMINE DERIVATIVES FOR TREATMENT OF RESPIRATORY DISEASES GLAXO GROUP LIMITED (GB) 2003-11-12 EP disclosed
WO-2002066422-A1 PHENETHANOLAMINE DERIVATIVES FOR TREATMENT OF RESPIRATORY DISEASES GLAXO GROUP LIMITED (GB) 2002-08-29 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 (5 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
US-20100021423-A1 Heterocyclic antiviral compounds POLR2A, RRM2B, RRP1B CA2 4842/4885CA1 4874/4885CA9 3305/4885

“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.