Sugi Predict

Sugi Predict / Compounds / SCHEMBL1249963

SCHEMBL1249963

SCHEMBL1249963

COc1cc(/C=C2\SC(=O)NC2=O)cc([N+](=O)[O-])c1O

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IGF1R P08069 3/20 0.75
▸ GSK3B P49841 3/20 0.63
▸ ESRRA P11474 5/20 0.62
▸ MAPT P10636 3/20 0.61
▸ MCL1 Q07820 3/20 0.61
▸ NPSR1 Q6W5P4 2/20 0.61
▸ MEN1 O00255 2/20 0.61
▸ POLB P06746 2/20 0.61
▸ KMT2A Q03164 2/20 0.61
▸ ALDH1A1 P00352 1/20 0.61
▸ LMNA P02545 1/20 0.61
▸ SMN1; SMN2 Q16637 1/20 0.61
▸ GFER P55789 1/20 0.61
▸ PIM1 P11309 2/20 0.61
▸ PIM3 Q86V86 2/20 0.61
▸ PIM2 Q9P1W9 2/20 0.61
▸ CDC7 O00311 1/20 0.61
▸ DAPK3 O43293 1/20 0.61
▸ DYRK3 O43781 1/20 0.61
▸ MAP4K4 O95819 1/20 0.61

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
SCHEMBL1249965 1.00 IGF1R (0.75) IGF1RGSK3BESRRAMAPTMCL1
SCHEMBL1249041 0.88 IGF1R (0.69) IGF1RGSK3BMAPTNPSR1MEN1
SCHEMBL6274994 0.88 IGF1R (0.69) IGF1RGSK3BMAPTNPSR1MEN1
SCHEMBL1249040 0.88 IGF1R (0.69) IGF1RGSK3BMAPTNPSR1MEN1
SCHEMBL1249172 0.86 IGF1R (1.00) IGF1RGSK3BMAPTMEN1KMT2A
SCHEMBL15421448 0.86 IGF1R (1.00) IGF1RGSK3BMAPTMEN1KMT2A
SCHEMBL1249176 0.86 IGF1R (1.00) IGF1RGSK3BMAPTMEN1KMT2A
SCHEMBL6274113 0.86 IGF1R (0.58) IGF1RGSK3BESRRAMAPTMCL1
SCHEMBL6274114 0.86 IGF1R (0.58) IGF1RGSK3BESRRAMAPTMCL1
SCHEMBL6274108 0.86 IGF1R (0.58) IGF1RGSK3BESRRAMAPTMCL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7879893-B2 Zinc binding ligand; sustained release of insulin NOVO NORDISK A/S (DK) 2011-02-01 — — US disclosed
US-20090123563-A1 Pharmaceutical Preparations Comprising Insulin, Zinc Ions and Zinc-Binding Ligand NOVO NORDISK A/S (DK) 2009-05-14 — — US disclosed
US-20090123563-A1 Pharmaceutical Preparations Comprising Insulin, Zinc Ions and Zinc-Binding Ligand NOVO NORDISK A/S (DK) 2009-05-14 — — US disclosed
EP-1585541-B1 PHARMACEUTICAL COMPOSITIONS COMPRISING INSULIN AND LEGENDS OF INSULIN HEXAMER NOVO NORDISK AS (DK) 2007-11-14 — — EP disclosed
EP-1429763-B1 NOVEL LIGANDS FOR THE HisB10 Zn2+ SITES OF THE R-STATE INSULIN HEXAMER NOVO NORDISK AS (DK) 2007-05-30 — — EP disclosed
US-20060258561-A1 Novel NPH insulin preparations NOVO NORDISK A/S (DK) 2006-11-16 — — US disclosed
WO-2006082245-A1 PHARMACEUTICAL PREPARATIONS COMPRISING INSULIN, ZINC IONS AND A ZINC-BINDING LIGAND NOVO NORDISK A/S (DK) 2006-08-10 — — WO disclosed
US-20060069013-A1 Pharmaceutical preparations comprising acid-stabilised insulin NOVO NORDISK A/S (DK) 2006-03-30 — — US disclosed
EP-1610812-A1 PHARMACEUTICAL PREPARATIONS COMPRISING ACID-STABILISED INSULIN NOVO NORDISK A/S (DK) 2006-01-04 — — EP disclosed
EP-1605967-A1 NOVEL NPH INSULIN PREPARATIONS NOVO NORDISK A/S (DK) 2005-12-21 — — EP disclosed
EP-1585541-A2 PHARMACEUTICAL COMPOSITIONS COMPRISING INSULIN AND LEGENDS OF INSULIN HEXAMER NOVO NORDISK A/S (DK) 2005-10-19 — — EP disclosed
US-20050065066-A1 comprising insulin and novel ligands for the HisB10 Zn2+ sites of the R-state insulin hexamer; physical and chemical stability NOVO NORDISK A/S (DK) 2005-03-24 — — US disclosed
WO-2004080481-A1 NOVEL NPH INSULIN PREPARATIONS NOVO NORDISK A/S (DK) 2004-09-23 — — WO disclosed
WO-2004080480-A1 PHARMACEUTICAL PREPARATIONS COMPRISING ACID-STABILISED INSULIN NOVO NORDISK A/S (DK) 2004-09-23 — — WO disclosed
WO-2004056347-A2 PHARMACEUTICAL COMPOSITIONS COMPRISING INSULIN AND LEGENDS OF INSULIN HEXAMER NOVO NORDISK A/S (DK) 2004-07-08 — — WO disclosed
EP-1429763-A2 NOVEL LIGANDS FOR THE HisB10 Zn2+ SITES OF THE R-STATE INSULIN HEXAMER NOVO NORDISK A/S (DK) 2004-06-23 — — EP disclosed
US-20030229120-A1 Novel ligands for the hisb10 zn2+ sites of the r-state insulin hexamer NOVO NORDISK A/S (DK) 2003-12-11 — — US disclosed
WO-2003027081-A2 NOVEL LIGANDS FOR THE HisB10 Zn2+ SITES OF THE R-STATE INSULIN HEXAMER NOVO NORDISK A/S (DK) 2003-04-03 — — 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-20060258561-A1 Novel NPH insulin preparations IAPP, HBB, INSR IGF1R 27/4885GSK3B 3410/4885ESRRA 2825/4885
US-20060069013-A1 Pharmaceutical preparations comprising acid-stabilised insulin IAPP, GPR119, INSR IGF1R 19/4885GSK3B 4297/4885ESRRA 1859/4885
US-20030229120-A1 Novel ligands for the hisb10 zn2+ sites of the r-state insulin hexamer IAPP, IRS1, GPR119 IGF1R 16/4885GSK3B 4545/4885ESRRA 1287/4885
US-20050065066-A1 comprising insulin and novel ligands for the HisB10 Zn2+ sites of the R-state insulin hexamer; physical and chemical stability IAPP, IRS1, INSR IGF1R 7/4885GSK3B 3239/4885ESRRA 1368/4885
US-20090123563-A1 Pharmaceutical Preparations Comprising Insulin, Zinc Ions and Zinc-Binding Ligand IAPP, IRS1, HBB IGF1R 13/4885GSK3B 2392/4885ESRRA 2276/4885

“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.