SCHEMBL1250447

SCHEMBL1250447

O=C1NC(=O)/C(=C\c2cccc(C(=O)O)c2)S1

nearest known ligand 0.76

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.76
AKR1B1 P15121 4/20 0.68
PIM1 P11309 7/20 0.67
PIM2 Q9P1W9 7/20 0.67
PIM3 Q86V86 1/20 0.67
CISD1 Q9NZ45 3/20 0.63
MAOA P21397 1/20 0.63
MAOB P27338 1/20 0.63
PIK3CG P48736 1/20 0.61
HPGD P15428 3/20 0.60
TTR P02766 1/20 0.59
GSK3B P49841 1/20 0.59
MYC P01106 1/20 0.58
IL1RN P18510 1/20 0.58
ERAP1 Q9NZ08 1/20 0.58
IGF1R P08069 1/20 0.58

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
SCHEMBL12892083 1.00 TDP1 (0.76) TDP1AKR1B1PIM1PIM2PIM3
SCHEMBL1250449 1.00 TDP1 (0.76) TDP1AKR1B1PIM1PIM2PIM3
SCHEMBL6184899 0.88 PIK3CG (0.67) TDP1AKR1B1PIM1PIM2PIM3
SCHEMBL6184897 0.88 PIK3CG (0.67) TDP1AKR1B1PIM1PIM2PIM3
SCHEMBL6415312 0.86 GSK3A (0.63) TDP1AKR1B1PIM1PIM2PIM3
SCHEMBL6415318 0.86 GSK3A (0.63) TDP1AKR1B1PIM1PIM2PIM3
SCHEMBL14860887 0.86 TDP1 (1.00) TDP1AKR1B1HPGD
SCHEMBL8182997 0.86 TDP1 (1.00) TDP1AKR1B1HPGD
SCHEMBL8182999 0.86 TDP1 (1.00) TDP1AKR1B1HPGD
SCHEMBL212026 0.85 MYC (0.77) TDP1AKR1B1PIM1PIM2PIM3

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 17 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
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 TDP1 4817/4885AKR1B1 3902/4885PIM1 3313/4885
US-20060069013-A1 Pharmaceutical preparations comprising acid-stabilised insulin IAPP, GPR119, INSR TDP1 4829/4885AKR1B1 2908/4885PIM1 4279/4885
US-20030229120-A1 Novel ligands for the hisb10 zn2+ sites of the r-state insulin hexamer IAPP, IRS1, GPR119 TDP1 4813/4885AKR1B1 4035/4885PIM1 4412/4885
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 TDP1 4842/4885AKR1B1 3885/4885PIM1 3653/4885
US-20090123563-A1 Pharmaceutical Preparations Comprising Insulin, Zinc Ions and Zinc-Binding Ligand IAPP, IRS1, HBB TDP1 4829/4885AKR1B1 3767/4885PIM1 3773/4885

“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.