SCHEMBL1159969

SCHEMBL1159969

O=C(O)C(CO)C(O)CO

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.50
OR51E2 Q9H255 1/20 0.48
USP2 O75604 1/20 0.46
SLCO1B1 Q9Y6L6 1/20 0.46
TDP1 Q9NUW8 2/20 0.41
LMNA P02545 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
TSHR P16473 2/20 0.35
TP53 P04637 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CYP2C9 P11712 1/20 0.33
SLC1A1 P43005 3/20 0.32
SLC1A3 P43003 2/20 0.31
SLC1A2 P43004 2/20 0.31

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
SCHEMBL13917733 0.81 PDE4A (0.62) PDE4AOR51E2USP2SLCO1B1TDP1
SCHEMBL3064788 0.81 PDE4A (0.44) PDE4AOR51E2USP2SLCO1B1TDP1
SCHEMBL27677822 0.81 OR51E2 (0.42) PDE4AOR51E2USP2SLCO1B1TDP1
SCHEMBL21143414 0.81 TDP1 (0.62) PDE4AOR51E2USP2SLCO1B1TDP1
SCHEMBL7775006 0.81 PDE4A (0.44) PDE4AOR51E2USP2SLCO1B1TDP1
SCHEMBL3064781 0.81 PDE4A (0.44) PDE4AOR51E2USP2SLCO1B1TDP1
SCHEMBL3073651 0.81 PDE4A (0.44) PDE4AOR51E2USP2SLCO1B1TDP1
SCHEMBL1895730 0.81 PDE4A (0.44) PDE4AOR51E2USP2SLCO1B1TDP1
SCHEMBL3901335 0.81 TDP1 (0.50) PDE4AOR51E2USP2SLCO1B1TDP1
SCHEMBL3130940 0.79

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-20120190646-A1 Compositions Comprising Thalidomide and Artemisinin for the Treatment of Cancer DAFRA PHARMA N.V. (BE) 2012-07-26 US claimed
EP-2289554-A1 Compositions comprising thalidomide and artemisinin for the treatment of cancer Dafra Pharma N.V. (BE) 2011-03-02 EP claimed
WO-2011012626-A1 COMPOSITIONS COMPRISING THALIDOMIDE AND ARTEMISININ FOR THE TREATMENT OF CANCER DAFRA PHARMA N.V. (BE) 2011-02-03 WO claimed
US-20120190646-A1 Compositions Comprising Thalidomide and Artemisinin for the Treatment of Cancer DAFRA PHARMA N.V. (BE) 2012-07-26 US disclosed
EP-2289554-A1 Compositions comprising thalidomide and artemisinin for the treatment of cancer Dafra Pharma N.V. (BE) 2011-03-02 EP disclosed
WO-2011012626-A1 COMPOSITIONS COMPRISING THALIDOMIDE AND ARTEMISININ FOR THE TREATMENT OF CANCER DAFRA PHARMA N.V. (BE) 2011-02-03 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 (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-20120190646-A1 Compositions Comprising Thalidomide and Artemisinin for the Treatment of Cancer CD47, THPO, MLLT1 PDE4A 3040/4885OR51E2 4504/4885USP2 3240/4885

“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.