SCHEMBL6448804

SCHEMBL6448804

O=C1NC(=O)C(=Cc2ccc(O)c(C(=O)O)c2)S1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTP4A3 O75365 1/20 0.78
CISD1 Q9NZ45 2/20 0.66
IGF1R P08069 2/20 0.63
INSR P06213 1/20 0.63
GSK3B P49841 4/20 0.61
PIM1 P11309 4/20 0.61
PIM2 Q9P1W9 4/20 0.61
PIM3 Q86V86 3/20 0.61
CDC7 O00311 1/20 0.61
DAPK3 O43293 1/20 0.61
DYRK3 O43781 1/20 0.61
MAP4K4 O95819 1/20 0.61
PHKG2 P15735 1/20 0.61
RPS6KB1 P23443 1/20 0.61
CSNK1D P48730 1/20 0.61
CLK2 P49760 1/20 0.61
GSK3A P49840 1/20 0.61
NEK4 P51957 1/20 0.61
CSNK2A1 P68400 1/20 0.61
CSNK1G2 P78368 1/20 0.61

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
SCHEMBL6448803 1.00 PTP4A3 (0.78) PTP4A3CISD1IGF1RINSRGSK3B
SCHEMBL6450013 1.00 PTP4A3 (0.78) PTP4A3CISD1IGF1RINSRGSK3B
SCHEMBL8178908 0.88 PTP4A3 (1.00) PTP4A3CISD1GSK3BPIM1PIM2
SCHEMBL6413633 0.88 PTP4A3 (0.73) PTP4A3CISD1IGF1RINSRGSK3B
SCHEMBL6413629 0.88 PTP4A3 (0.73) PTP4A3CISD1IGF1RINSRGSK3B
SCHEMBL8178911 0.88 PTP4A3 (1.00) PTP4A3CISD1GSK3BPIM1PIM2
SCHEMBL8171933 0.84 PTP4A3 (0.57) PTP4A3CISD1IGF1RINSRGSK3B
SCHEMBL1249438 0.83 TDP1 (0.75) CISD1IGF1RGSK3BPIM1PIM2
SCHEMBL1249440 0.83 TDP1 (0.75) CISD1IGF1RGSK3BPIM1PIM2
SCHEMBL12218285 0.83 TDP1 (0.75) CISD1IGF1RGSK3BPIM1PIM2

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-20050020654-A1 Novel PPAR agonists, pharmaceutical compositions and uses thereof BETHESDA PHARMACEUTICALS, INC. 2005-01-27 US disclosed
WO-2004082621-A2 NOVEL PPAR AGONISTS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF BETHESDA PHARMACEUTICALS, INC. (US) 2004-09-30 WO 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-20050020654-A1 Novel PPAR agonists, pharmaceutical compositions and uses thereof PPARG, PPARD, PPARA PTP4A3 1330/4885CISD1 2661/4885IGF1R 140/4885

“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.