SCHEMBL8218339

SCHEMBL8218339

Cc1ccc(CC2SC(=O)NC2=O)c2ccccc12

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
MAOA P21397 2/20 0.50
CISD1 Q9NZ45 2/20 0.50
MAOB P27338 2/20 0.50
CA2 P00918 2/20 0.50
PPARG P37231 5/20 0.47
MAPT P10636 2/20 0.46
KCNH2 Q12809 1/20 0.45
FFAR1 O14842 3/20 0.42
PIM3 Q86V86 1/20 0.40
PIM2 Q9P1W9 1/20 0.40
HSD11B1 P28845 1/20 0.40
DAO P14920 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
SCHEMBL9570635 0.85 MAPT (0.53) ALDH1A1NPSR1MAOACISD1MAOB
SCHEMBL8228771 0.82 CA2 (0.63) ALDH1A1NPSR1MAOACISD1MAOB
SCHEMBL13846717 0.82 CA2 (0.47) ALDH1A1NPSR1MAOACISD1MAOB
SCHEMBL4089575 0.79 MAPT (0.50) ALDH1A1NPSR1MAOACISD1MAOB
SCHEMBL9570555 0.78 CA2 (0.48) CA2PPARGMAPTFFAR1
SCHEMBL13846806 0.77 CA2 (0.47) CA2PPARGMAPTKCNH2FFAR1
SCHEMBL13846779 0.77 MAOA (0.59) ALDH1A1NPSR1MAOACISD1MAOB
SCHEMBL8172885 0.76 AKT1 (0.53) MAOACISD1CA2PPARGMAPT
SCHEMBL13846741 0.76 PPARG (0.51) ALDH1A1CA2PPARGMAPTFFAR1
SCHEMBL8715367 0.76 FFAR1 (0.51) MAOBCA2PPARGMAPTFFAR1

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 3 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
US-20090123563-A1 Pharmaceutical Preparations Comprising Insulin, Zinc Ions and Zinc-Binding Ligand NOVO NORDISK A/S (DK) 2009-05-14 US disclosed
WO-2000018746-A1 THIAZOLIDINE DERIVATIVES FOR THE TREATMENT AND PREVENTION OF METABOLIC BONE DISORDERS ROCHE DIAGNOSTICS GMBH (DE) 2000-04-06 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 (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 ALDH1A1 4836/4885NPSR1 2544/4885MAOA 4691/4885

“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.