SCHEMBL2406951

SCHEMBL2406951

O=[N+]([O-])c1cc(Cl)cc(-c2cccc(S(=O)(=O)O)c2)c1O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.49
HPGD P15428 2/20 0.49
TDP1 Q9NUW8 2/20 0.49
GAA P10253 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
NSD2 O96028 1/20 0.46
PLCG1 P19174 1/20 0.46
DNMT1 P26358 1/20 0.46
CASP6 P55212 1/20 0.46
CRHBP P24387 1/20 0.42
CRHR2 Q13324 1/20 0.42
KIF18A Q8NI77 1/20 0.42
CA1 P00915 4/20 0.40
CA2 P00918 4/20 0.40
CA12 O43570 3/20 0.40
CA9 Q16790 3/20 0.40
MAPT P10636 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
FLT1 P17948 1/20 0.39
FLT4 P35916 1/20 0.39

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
SCHEMBL4341096 0.83 KIF18A (0.39) ALDH1A1HPGDTDP1KIF18ACA1
SCHEMBL2410713 0.78 CRHBP (0.43) ALDH1A1TDP1GAAL3MBTL1CRHBP
SCHEMBL2404465 0.78 ERN1 (0.57) CASP6CRHBPCRHR2MAPTTTR
SCHEMBL29386074 0.78 ERN1 (0.57) CASP6CRHBPCRHR2MAPTTTR
SCHEMBL2404683 0.76 BCL2L1 (0.43) ALDH1A1L3MBTL1MAPTFLT1FLT4
Niclofolan SCHEMBL1498232 0.75 GPR35 (0.57) ALDH1A1HPGDTDP1GAACRHBP
Niclofolan SCHEMBL29385615 0.75 GPR35 (0.57) ALDH1A1HPGDTDP1GAACRHBP
SCHEMBL2405480 0.74 ALOX5 (0.45) ALDH1A1HPGDTDP1CA1CA2
SCHEMBL2405271 0.72 MAPT (0.39) ALDH1A1HPGDTDP1GAAL3MBTL1
SCHEMBL9190266 0.71 NSD2 (0.50) ALDH1A1HPGDTDP1GAAL3MBTL1

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150093356-A1 THROMBOPOIETIN MIMETICS GLAXOSMITHKLINE LLC 2015-04-02 US disclosed
US-20130078213-A1 THROMBOPOIETIN MIMETICS GLAXOSMITHKLINE LLC 2013-03-28 US disclosed
US-20110212054-A1 THROMBOPOIETIN MIMETICS GLAXOSMITHKLINE LLC. 2011-09-01 US disclosed
US-7790704-B2 Thrombopoietin mimetics GlaxoSmithKline, LLC (US) 2010-09-07 US disclosed
US-7674887-B2 Thrombopoietin mimetics GLAXOSMITHKLINE LLC (US) 2010-03-09 US disclosed
US-7648971-B2 Thrombopoietin mimetics SMITHKLINE BEECHAM CORP. (US) 2010-01-19 US disclosed
EP-1889838-B1 Thrombopoietin mimetics SMITHKLINE BEECHAM CORP (US) 2009-10-14 EP disclosed
US-20090176746-A1 THROMBOPOIETIN MIMETICS SMITHKLINE BEECHAM CORPORATION 2009-07-09 US disclosed
US-20090176973-A1 THROMBOPOIETIN MIMETICS SMITHKLINE BEECHAM CORPORATION AND GLAXO GROUP LIMITED 2009-07-09 US disclosed
US-20090155203-A1 THROMBOPOIETIN MIMETICS SmithKline Bee cham Corporation 2009-06-18 US disclosed
EP-1889838-A1 Thrombopoietin mimetics SmithKline Beecham Corporation (US) 2008-02-20 EP disclosed
US-7332481-B2 Thrombopoietin mimetics SMITHKLINE BEECHAM CORPORATION (US) 2008-02-19 US disclosed
EP-1864981-A1 Thrombopoietin mimetics SmithKline Beecham Corporation (US) 2007-12-12 EP disclosed
US-20070179192-A1 THROMBOPOIETIN MIMETICS SMITHKLINE BEECHAM CORPORATION AND GLAXO GROUP LIMITED 2007-08-02 US disclosed
US-20070129338-A1 THROMBOPOIETIN MIMETICS SMITHKLINE BEECHAM CORPORATION 2007-06-07 US disclosed
US-7160870-B2 Thrombopoietin mimetics SMITHKLINE BEECHAM CORPORATION (US) 2007-01-09 US disclosed
US-20040019190-A1 Thrombopoietin mimetics NOVARTIS AG (CH) 2004-01-29 US disclosed
EP-1294378-A4 THROMBOPOIETIN MIMETICS SMITHKLINE BEECHAM CORP (US) 2004-01-28 EP disclosed
EP-1294378-A2 THROMBOPOIETIN MIMETICS SMITHKLINE BEECHAM CORPORATION (US) 2003-03-26 EP disclosed
WO-2001089457-A2 THROMBOPOIETIN MIMETICS SMITHKLINE BEECHAM CORPORATION (US) 2001-11-29 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 (8 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-20070129338-A1 THROMBOPOIETIN MIMETICS MPL, THPO, TEK ALDH1A1 1012/4885HPGD 1200/4885TDP1 2922/4885
US-20070179192-A1 THROMBOPOIETIN MIMETICS MPL, THPO, TEK ALDH1A1 1012/4885HPGD 1200/4885TDP1 2922/4885
US-20150093356-A1 THROMBOPOIETIN MIMETICS MPL, THPO, TEK ALDH1A1 1012/4885HPGD 1200/4885TDP1 2922/4885
US-20090176746-A1 THROMBOPOIETIN MIMETICS MPL, THPO, TEK ALDH1A1 1012/4885HPGD 1200/4885TDP1 2922/4885
US-20110212054-A1 THROMBOPOIETIN MIMETICS MPL, THPO, TEK ALDH1A1 1012/4885HPGD 1200/4885TDP1 2922/4885
US-20130078213-A1 THROMBOPOIETIN MIMETICS MPL, THPO, TEK ALDH1A1 1012/4885HPGD 1200/4885TDP1 2922/4885
US-20090155203-A1 THROMBOPOIETIN MIMETICS MPL, THPO, TEK ALDH1A1 1012/4885HPGD 1200/4885TDP1 2922/4885
US-20090176973-A1 THROMBOPOIETIN MIMETICS MPL, THPO, TEK ALDH1A1 1012/4885HPGD 1200/4885TDP1 2922/4885

“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.