SCHEMBL1248883

SCHEMBL1248883

O=C1NC(=S)S/C1=C/c1cccc(Oc2ccccc2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 3/20 1.00
MMP3 P08254 2/20 1.00
ADAMTS5 Q9UNA0 8/20 0.82
AKR1B1 P15121 1/20 0.76
GSK3B P49841 2/20 0.76
NAT1 P18440 2/20 0.69
CA2 P00918 1/20 0.69
EPHX1 P07099 1/20 0.69

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
SCHEMBL8308267 1.00 MMP13 (1.00) MMP13MMP3ADAMTS5AKR1B1GSK3B
SCHEMBL1248886 1.00 MMP13 (1.00) MMP13MMP3ADAMTS5AKR1B1GSK3B
SCHEMBL7972124 0.90 ADAMTS5 (1.00) MMP13MMP3ADAMTS5AKR1B1GSK3B
SCHEMBL7972127 0.90 ADAMTS5 (1.00) MMP13MMP3ADAMTS5AKR1B1GSK3B
SCHEMBL18103023 0.90 ADAMTS5 (1.00) MMP13MMP3ADAMTS5AKR1B1GSK3B
SCHEMBL18103062 0.90 MMP13 (0.82) MMP13MMP3ADAMTS5AKR1B1GSK3B
SCHEMBL18103051 0.89 NAT1 (0.83) MMP13MMP3ADAMTS5AKR1B1GSK3B
SCHEMBL18103088 0.88 MMP3 (1.00) MMP13MMP3ADAMTS5AKR1B1NAT1
SCHEMBL8177658 0.88 MMP3 (1.00) MMP13MMP3ADAMTS5AKR1B1NAT1
SCHEMBL8177661 0.88 MMP3 (1.00) MMP13MMP3ADAMTS5AKR1B1NAT1

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
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-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-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 MMP13 3270/4885MMP3 4031/4885ADAMTS5 3067/4885
US-20060069013-A1 Pharmaceutical preparations comprising acid-stabilised insulin IAPP, GPR119, INSR MMP13 3934/4885MMP3 4641/4885ADAMTS5 3504/4885
US-20030229120-A1 Novel ligands for the hisb10 zn2+ sites of the r-state insulin hexamer IAPP, IRS1, GPR119 MMP13 3957/4885MMP3 4543/4885ADAMTS5 3729/4885
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 MMP13 3353/4885MMP3 4626/4885ADAMTS5 3575/4885
US-20090123563-A1 Pharmaceutical Preparations Comprising Insulin, Zinc Ions and Zinc-Binding Ligand IAPP, IRS1, HBB MMP13 3355/4885MMP3 4657/4885ADAMTS5 3693/4885

“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.