SCHEMBL4333700

SCHEMBL4333700

O=C1NC(=O)/C(=C\c2cccc(-c3cccc([N+](=O)[O-])c3O)c2)S1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 1/20 0.63
PIK3CG P48736 1/20 0.63
GSK3B P49841 2/20 0.63
IGF1R P08069 2/20 0.61
TDP2 O95551 1/20 0.57
CASP7 P55210 1/20 0.57
CASP9 P55211 1/20 0.57
CASP6 P55212 1/20 0.57
CASP8 Q14790 1/20 0.57
AKR1B1 P15121 2/20 0.56
SCN9A Q15858 1/20 0.54
MEN1 O00255 1/20 0.53
POLB P06746 1/20 0.53
KMT2A Q03164 1/20 0.53
ESRRA P11474 1/20 0.52
MGAM O43451 1/20 0.52
GAA P10253 1/20 0.52
SI P14410 1/20 0.52
MGAM2 Q2M2H8 1/20 0.52
PIM1 P11309 5/20 0.51

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
SCHEMBL4333702 1.00 PIK3CA (0.63) PIK3CAPIK3CGGSK3BIGF1RTDP2
SCHEMBL4339167 0.84 ESRRA (0.59) GSK3BIGF1RTDP2CASP7CASP9
SCHEMBL4339169 0.84 ESRRA (0.59) GSK3BIGF1RTDP2CASP7CASP9
SCHEMBL4343455 0.82 SCN9A (0.61) GSK3BAKR1B1SCN9AMEN1POLB
SCHEMBL4343451 0.82 SCN9A (0.61) GSK3BAKR1B1SCN9AMEN1POLB
SCHEMBL6850835 0.78 IGF1R (0.61) PIK3CAPIK3CGGSK3BIGF1RTDP2
SCHEMBL6850832 0.78 IGF1R (0.61) PIK3CAPIK3CGGSK3BIGF1RTDP2
SCHEMBL4852830 0.78 GSK3B (0.81) GSK3BIGF1RTDP2CASP7CASP9
SCHEMBL9831864 0.78 GSK3B (1.00) GSK3BIGF1RTDP2CASP7CASP9
SCHEMBL9831869 0.78 GSK3B (1.00) GSK3BIGF1RTDP2CASP7CASP9

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 PIK3CA 616/4885PIK3CG 837/4885GSK3B 3054/4885
US-20130078213-A1 THROMBOPOIETIN MIMETICS MPL, THPO, TEK PIK3CA 616/4885PIK3CG 837/4885GSK3B 3054/4885

“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.