Sugi Predict

Sugi Predict / Compounds / SCHEMBL1248870

SCHEMBL1248870

SCHEMBL1248870

COc1ccc2cc(C(C)=C3SC(=O)NC3=O)ccc2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.48
▸ GSK3B P49841 3/20 0.45
▸ PIM1 P11309 2/20 0.43
▸ AKR1B1 P15121 2/20 0.43
▸ PIM2 Q9P1W9 2/20 0.43
▸ NPC1 O15118 2/20 0.43
▸ RAB9A P51151 2/20 0.43
▸ ALDH1A1 P00352 2/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ HDAC4 P56524 2/20 0.40
▸ CSNK2A2 P19784 1/20 0.40
▸ CLK1 P49759 1/20 0.40
▸ CSNK2B P67870 1/20 0.40
▸ CSNK2A1 P68400 1/20 0.40
▸ DYRK1A Q13627 1/20 0.40
▸ DYRK2 Q92630 1/20 0.40
▸ DYRK1B Q9Y463 1/20 0.40

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
SCHEMBL1248867 1.00 KDM4E (0.48) KDM4EGSK3BPIM1AKR1B1PIM2
SCHEMBL12891828 1.00 KDM4E (0.48) KDM4EGSK3BPIM1AKR1B1PIM2
SCHEMBL1250511 0.87 PIM1 (0.53) GSK3BPIM1AKR1B1PIM2NPC1
SCHEMBL1250508 0.87 PIM1 (0.53) GSK3BPIM1AKR1B1PIM2NPC1
SCHEMBL12891823 0.87 PIM1 (0.53) GSK3BPIM1AKR1B1PIM2NPC1
SCHEMBL12891826 0.85 PIM1 (0.51) GSK3BPIM1AKR1B1PIM2NPC1
SCHEMBL1250562 0.85 PIM1 (0.51) GSK3BPIM1AKR1B1PIM2NPC1
SCHEMBL1250563 0.85 PIM1 (0.51) GSK3BPIM1AKR1B1PIM2NPC1
SCHEMBL1248987 0.85 CES2 (0.42) KDM4EPIM1NPC1RAB9AALDH1A1
SCHEMBL1248986 0.85 CES2 (0.42) KDM4EPIM1NPC1RAB9AALDH1A1

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 19 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
EP-1768694-A1 PHAMACEUTICAL PREPARATIONS COMPRISING INSULIN NOVO NORDISK A/S (DK) 2007-04-04 — — 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
WO-2006005683-A1 PHAMACEUTICAL PREPARATIONS COMPRISING INSULIN NOVO NORDISK A/S (DK) 2006-01-19 — — WO 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 KDM4E 4791/4885GSK3B 3410/4885PIM1 3313/4885
US-20060069013-A1 Pharmaceutical preparations comprising acid-stabilised insulin IAPP, GPR119, INSR KDM4E 4773/4885GSK3B 4297/4885PIM1 4279/4885
US-20030229120-A1 Novel ligands for the hisb10 zn2+ sites of the r-state insulin hexamer IAPP, IRS1, GPR119 KDM4E 4783/4885GSK3B 4545/4885PIM1 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 KDM4E 4665/4885GSK3B 3239/4885PIM1 3653/4885
US-20090123563-A1 Pharmaceutical Preparations Comprising Insulin, Zinc Ions and Zinc-Binding Ligand IAPP, IRS1, HBB KDM4E 4599/4885GSK3B 2392/4885PIM1 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.