SCHEMBL3307079

SCHEMBL3307079

CCOC(=O)CC1CCC(OO)(OO)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.38
GAA P10253 1/20 0.38
SI P14410 1/20 0.38
MGAM2 Q2M2H8 1/20 0.38
ALDH1A1 P00352 2/20 0.35
TRPA1 O75762 1/20 0.35
TDP1 Q9NUW8 1/20 0.34
PARP14 Q460N5 1/20 0.34
JAK2 O60674 1/20 0.33
JAK1 P23458 1/20 0.33
TYK2 P29597 1/20 0.33
JAK3 P52333 1/20 0.33
CYP2D6 P10635 1/20 0.33
POLB P06746 1/20 0.33
KMT2A Q03164 1/20 0.33
KDM4E B2RXH2 1/20 0.33
EPHX2 P34913 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33

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
SCHEMBL6269261 0.82 MGAM (0.40) MGAMGAASIMGAM2ALDH1A1
SCHEMBL3310143 0.82 BRD4 (0.40) MGAMGAASIMGAM2ALDH1A1
SCHEMBL2721040 0.81
SCHEMBL2778453 0.81 TRPA1 (0.41) MGAMGAASIMGAM2ALDH1A1
SCHEMBL24791075 0.79 FFAR4 (0.38) MGAMGAASIMGAM2ALDH1A1
SCHEMBL13327422 0.78 NAMPT (0.32)
SCHEMBL1881523 0.77 ALDH1A1 (0.46) MGAMGAASIMGAM2ALDH1A1
SCHEMBL1439129 0.77 TDP1 (0.48) MGAMGAASIMGAM2ALDH1A1
SCHEMBL23934301 0.77 TDP1 (0.38) MGAMGAASIMGAM2ALDH1A1
SCHEMBL169393 0.77 ALDH1A1 (0.42) MGAMGAASIMGAM2ALDH1A1

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130023551-A1 DISPIRO TETRAOXANE COMPOUNDS LIVERPOOL SCHOOL OF TROPICAL MEDICINE (GB) 2013-01-24 US disclosed
US-20130023551-A1 DISPIRO TETRAOXANE COMPOUNDS LIVERPOOL SCHOOL OF TROPICAL MEDICINE (GB) 2013-01-24 US disclosed
US-20130023551-A1 DISPIRO TETRAOXANE COMPOUNDS LIVERPOOL SCHOOL OF TROPICAL MEDICINE (GB) 2013-01-24 US disclosed
EP-2233479-A1 DISPIRO TETRAOXANE COMPOUNDS AND THEIR USE IN THE TREATMENT OF MALARIA AND/OR CANCER Liverpool School of Tropical Medicine (GB) 2010-09-29 EP disclosed
US-20100113436-A1 DISPIRO TETRAOXANE COMPOUNDS AND THEIR USE IN THE TREATMENT OF MALARIA AND/OR CANCER LIVERPOOL SCHOOL OF TROPICAL MEDICINE (GB) 2010-05-06 US disclosed
US-20100113436-A1 DISPIRO TETRAOXANE COMPOUNDS AND THEIR USE IN THE TREATMENT OF MALARIA AND/OR CANCER LIVERPOOL SCHOOL OF TROPICAL MEDICINE (GB) 2010-05-06 US disclosed
US-20100113436-A1 DISPIRO TETRAOXANE COMPOUNDS AND THEIR USE IN THE TREATMENT OF MALARIA AND/OR CANCER LIVERPOOL SCHOOL OF TROPICAL MEDICINE (GB) 2010-05-06 US disclosed
EP-2091935-A2 DISPIRO TETRAOXANE COMPOUNDS AND THEIR USE IN THE TREATMENT OF MALARIA AND/OR CANCER Liverpool School of Tropical Medicine (GB) 2009-08-26 EP disclosed
WO-2008038030-A2 DISPIRO TETRAOXANE COMPOUNDS AND THEIR USE IN THE TREATMENT OF MALARIA AND/OR CANCER LIVERPOOL SCHOOL OF TROPICAL MEDICINE (GB) 2008-04-03 WO disclosed
WO-2008038030-A2 DISPIRO TETRAOXANE COMPOUNDS AND THEIR USE IN THE TREATMENT OF MALARIA AND/OR CANCER LIVERPOOL SCHOOL OF TROPICAL MEDICINE (GB) 2008-04-03 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 (2 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-20100113436-A1 DISPIRO TETRAOXANE COMPOUNDS AND THEIR USE IN THE TREATMENT OF MALARIA AND/OR CANCER NR1H2, NR1H3, NR1I2 MGAM 4821/4885GAA 4787/4885SI 4644/4885
US-20130023551-A1 DISPIRO TETRAOXANE COMPOUNDS NR1H3, NR1H2, NR1I2 MGAM 4842/4885GAA 4815/4885SI 4485/4885

“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.