SCHEMBL13846830

SCHEMBL13846830

O=C1NC(=S)S/C1=C/c1cccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1

nearest known ligand 0.69

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADAMTS5 Q9UNA0 7/20 0.69
CISD1 Q9NZ45 1/20 0.61
ESRRA P11474 2/20 0.61
MMP3 P08254 1/20 0.58
MMP13 P45452 1/20 0.58
GSK3B P49841 3/20 0.55
CRHBP P24387 1/20 0.55
CRHR2 Q13324 1/20 0.55
IDH1 O75874 1/20 0.54
MGAM O43451 1/20 0.51
GAA P10253 1/20 0.51
SI P14410 1/20 0.51
MGAM2 Q2M2H8 1/20 0.51
HPGD P15428 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
SCHEMBL5504421 0.82 ESRRA (0.77) CISD1ESRRAGSK3BHPGD
SCHEMBL5504425 0.82 ESRRA (0.77) CISD1ESRRAGSK3BHPGD
SCHEMBL12892061 0.80 CISD1 (0.61) ADAMTS5CISD1ESRRAMMP13GSK3B
SCHEMBL13749931 0.78 CISD1 (1.00) ADAMTS5CISD1MMP3MMP13GSK3B
SCHEMBL8271091 0.76 ESRRA (1.00) ESRRA
SCHEMBL5507657 0.76 ESRRA (1.00) ESRRA
SCHEMBL5507653 0.76 ESRRA (1.00) ESRRA
SCHEMBL13881915 0.75 LMNA (0.55) HPGD
SCHEMBL7969788 0.74 MMP3 (0.67) ESRRAMMP3MMP13GSK3BCRHBP
SCHEMBL8188463 0.74 ADAMTS5 (1.00) ADAMTS5CISD1MMP3MMP13GSK3B

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 1 patent. 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

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 ADAMTS5 3693/4885CISD1 1672/4885ESRRA 2276/4885

“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.