SCHEMBL723958

SCHEMBL723958

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

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.50
PDE4A P27815 1/20 0.50
OR51E2 Q9H255 1/20 0.48
CYP2C9 P11712 1/20 0.44
TDP1 Q9NUW8 1/20 0.41
LMNA P02545 1/20 0.36
USP2 O75604 1/20 0.36
SLCO1B1 Q9Y6L6 1/20 0.36
TP53 P04637 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
PGD P52209 1/20 0.33
SLC1A1 P43005 1/20 0.32
KDM4E B2RXH2 1/20 0.31
GBA1 P04062 1/20 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
SCHEMBL3901335 0.81 TDP1 (0.50) TSHRPDE4AOR51E2TDP1LMNA
SCHEMBL3130940 0.79
SCHEMBL9722952 0.78 TSHR (0.45) TSHRPDE4AOR51E2CYP2C9TDP1
SCHEMBL1159969 0.77 PDE4A (0.50) TSHRPDE4AOR51E2CYP2C9TDP1
SCHEMBL8384843 0.74
Isocitric Acid SCHEMBL12927570 0.74 TDP1 (0.68) TSHRPDE4ACYP2C9TDP1LMNA
SCHEMBL19584915 0.74 TSHR (0.47) TSHRPDE4ACYP2C9TDP1TP53
SCHEMBL1332730 0.74 TSHR (0.47) TSHRPDE4ACYP2C9TDP1TP53
SCHEMBL15256667 0.74 TSHR (0.47) TSHRPDE4ACYP2C9TDP1TP53
SCHEMBL7520455 0.74

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
US-20120190646-A1 Compositions Comprising Thalidomide and Artemisinin for the Treatment of Cancer DAFRA PHARMA N.V. (BE) 2012-07-26 US disclosed
US-20120048295-A1 CLEANING FORMULATION FOR REMOVING RESIDUES ON SURFACES FUJIFILM ELECTRONIC MATERIALS U.S.A., INC. (US) 2012-03-01 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-2010104816-A1 CLEANING FORMULATION FOR REMOVING RESIDUES ON SURFACES FUJIFILM ELECTRONIC MATERIALS U.S.A., INC. (US) 2010-09-16 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 TSHR 4485/4885PDE4A 3040/4885OR51E2 4504/4885

“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.