SCHEMBL4339167

SCHEMBL4339167

COc1c(-c2cccc(/C=C3/SC(=O)NC3=O)c2)cccc1[N+](=O)[O-]

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESRRA P11474 5/20 0.59
IGF1R P08069 3/20 0.57
PIM1 P11309 3/20 0.56
PIM2 Q9P1W9 3/20 0.56
AKR1B1 P15121 2/20 0.56
SCN9A Q15858 1/20 0.54
MGAM O43451 1/20 0.54
GAA P10253 1/20 0.54
SI P14410 1/20 0.54
MGAM2 Q2M2H8 1/20 0.54
TDP2 O95551 1/20 0.54
CASP7 P55210 1/20 0.54
CASP9 P55211 1/20 0.54
CASP6 P55212 1/20 0.54
CASP8 Q14790 1/20 0.54
GSK3B P49841 1/20 0.54
MAPT P10636 2/20 0.53
MCL1 Q07820 2/20 0.53
NPSR1 Q6W5P4 2/20 0.53
MEN1 O00255 2/20 0.53

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
SCHEMBL4339169 1.00 ESRRA (0.59) ESRRAIGF1RPIM1PIM2AKR1B1
SCHEMBL4333700 0.84 PIK3CA (0.63) ESRRAIGF1RPIM1PIM2AKR1B1
SCHEMBL4333702 0.84 PIK3CA (0.63) ESRRAIGF1RPIM1PIM2AKR1B1
SCHEMBL6233053 0.77 MAPT (0.74) ESRRAIGF1RPIM1PIM2MGAM
SCHEMBL6233052 0.77 MAPT (0.74) ESRRAIGF1RPIM1PIM2MGAM
SCHEMBL4033200 0.76 PIM1 (0.67) IGF1RPIM1PIM2AKR1B1SCN9A
SCHEMBL4209957 0.76 PIM1 (0.67) IGF1RPIM1PIM2AKR1B1SCN9A
SCHEMBL4033197 0.76 PIM1 (0.67) IGF1RPIM1PIM2AKR1B1SCN9A
SCHEMBL1250598 0.74 IGF1R (1.00) IGF1RPIM1PIM2AKR1B1GAA
SCHEMBL13846818 0.74 IGF1R (1.00) IGF1RPIM1PIM2AKR1B1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130078213-A1 THROMBOPOIETIN MIMETICS GLAXOSMITHKLINE LLC 2013-03-28 US disclosed
EP-1889838-B1 Thrombopoietin mimetics SMITHKLINE BEECHAM CORP (US) 2009-10-14 EP disclosed
EP-1889838-A1 Thrombopoietin mimetics SmithKline Beecham Corporation (US) 2008-02-20 EP disclosed
EP-1864981-A1 Thrombopoietin mimetics SmithKline Beecham Corporation (US) 2007-12-12 EP disclosed
US-20070129338-A1 THROMBOPOIETIN MIMETICS SMITHKLINE BEECHAM CORPORATION 2007-06-07 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 (2 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 ESRRA 2997/4885IGF1R 269/4885PIM1 3132/4885
US-20130078213-A1 THROMBOPOIETIN MIMETICS MPL, THPO, TEK ESRRA 2997/4885IGF1R 269/4885PIM1 3132/4885

“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.