SCHEMBL4099098

SCHEMBL4099098

COc1ccc(/C=C2/SC(=O)NC2=O)c2oc(C(=O)O)cc12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 3/20 0.57
PIM1 P11309 2/20 0.52
PIM3 Q86V86 2/20 0.52
PIM2 Q9P1W9 2/20 0.52
PDE4B Q07343 1/20 0.52
GSK3B P49841 4/20 0.51
HPGD P15428 4/20 0.49
KMT2A Q03164 2/20 0.49
TDP1 Q9NUW8 1/20 0.49
IGF1R P08069 2/20 0.49
CDC7 O00311 1/20 0.49
DAPK3 O43293 1/20 0.49
DYRK3 O43781 1/20 0.49
MAP4K4 O95819 1/20 0.49
PHKG2 P15735 1/20 0.49
RPS6KB1 P23443 1/20 0.49
CSNK1D P48730 1/20 0.49
CLK2 P49760 1/20 0.49
GSK3A P49840 1/20 0.49
NEK4 P51957 1/20 0.49

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
SCHEMBL13846627 1.00 PTPN1 (0.57) PTPN1PIM1PIM3PIM2PDE4B
SCHEMBL4099100 1.00 PTPN1 (0.57) PTPN1PIM1PIM3PIM2PDE4B
SCHEMBL14381302 0.82 POLB (0.44) PTPN1PIM1GSK3BHPGDKMT2A
SCHEMBL4099178 0.78 PTPN1 (0.56) PTPN1PIM1PIM3PIM2PDE4B
SCHEMBL4099179 0.78 PTPN1 (0.56) PTPN1PIM1PIM3PIM2PDE4B
SCHEMBL13846631 0.78 PTPN1 (0.56) PTPN1PIM1PIM3PIM2PDE4B
SCHEMBL4093886 0.77 PIM1 (0.46) PIM1PDE4BHPGDTDP1
SCHEMBL1249011 0.75 PTPN1 (0.61) PTPN1PIM1PIM3PIM2PDE4B
SCHEMBL1249012 0.75 PTPN1 (0.61) PTPN1PIM1PIM3PIM2PDE4B
SCHEMBL18384672 0.74 PDE4A (0.55) PIM1PDE4BHPGDKMT2ATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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 PTPN1 1003/4885PIM1 3313/4885PIM3 3759/4885
US-20060069013-A1 Pharmaceutical preparations comprising acid-stabilised insulin IAPP, GPR119, INSR PTPN1 3054/4885PIM1 4279/4885PIM3 4591/4885
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 PTPN1 2200/4885PIM1 3653/4885PIM3 4080/4885
US-20090123563-A1 Pharmaceutical Preparations Comprising Insulin, Zinc Ions and Zinc-Binding Ligand IAPP, IRS1, HBB PTPN1 3178/4885PIM1 3773/4885PIM3 4068/4885

“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.