SCHEMBL12891780

SCHEMBL12891780

O=C1NC(=O)/C(=C/c2cccc(Oc3ccccc3)c2)S1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 5/20 1.00
HPGD P15428 1/20 0.81
ADAMTS5 Q9UNA0 6/20 0.77
MMP3 P08254 2/20 0.76
MMP13 P45452 2/20 0.76
PIM1 P11309 5/20 0.73
PIM2 Q9P1W9 5/20 0.73
PIM3 Q86V86 1/20 0.69
XDH P47989 1/20 0.65
MAOA P21397 1/20 0.62
MAOB P27338 1/20 0.62
CISD1 Q9NZ45 1/20 0.62

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
SCHEMBL1248971 1.00 AKR1B1 (1.00) AKR1B1HPGDADAMTS5MMP3MMP13
SCHEMBL1248969 1.00 AKR1B1 (1.00) AKR1B1HPGDADAMTS5MMP3MMP13
SCHEMBL1300557 0.90 HPGD (1.00) AKR1B1HPGDADAMTS5MMP3MMP13
SCHEMBL1249025 0.90 HPGD (1.00) AKR1B1HPGDADAMTS5MMP3MMP13
SCHEMBL1249023 0.90 HPGD (1.00) AKR1B1HPGDADAMTS5MMP3MMP13
SCHEMBL1247917 0.90 AKR1B1 (0.81) AKR1B1HPGDADAMTS5MMP3MMP13
SCHEMBL12891792 0.90 AKR1B1 (0.81) AKR1B1HPGDADAMTS5MMP3MMP13
SCHEMBL1247918 0.90 AKR1B1 (0.81) AKR1B1HPGDADAMTS5MMP3MMP13
SCHEMBL5509720 0.88 ADAMTS5 (0.88) AKR1B1HPGDADAMTS5MMP3MMP13
SCHEMBL5509719 0.88 ADAMTS5 (0.88) AKR1B1HPGDADAMTS5MMP3MMP13

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 6 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-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

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

For each of this compound's patents that has machine-readable text (1 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-20090123563-A1 Pharmaceutical Preparations Comprising Insulin, Zinc Ions and Zinc-Binding Ligand IAPP, IRS1, HBB AKR1B1 3767/4885HPGD 3478/4885ADAMTS5 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.