SCHEMBL3310143

SCHEMBL3310143

COC(=O)CC1CCC(OO)(OO)CC1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.40
TSHR P16473 3/20 0.33
GAA P10253 2/20 0.33
PRKCA P17252 2/20 0.32
NR1H2 P55055 1/20 0.32
HSD17B10 Q99714 1/20 0.31
MGAM O43451 1/20 0.31
SI P14410 1/20 0.31
MGAM2 Q2M2H8 1/20 0.31
EPHX2 P34913 1/20 0.31
ALDH1A1 P00352 2/20 0.31
KMT2A Q03164 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
NAMPT P43490 1/20 0.30

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
SCHEMBL25405665 0.87 BRD4 (0.41) BRD4TSHRGAAPRKCANR1H2
SCHEMBL3307079 0.82 MGAM (0.38) GAAMGAMSIMGAM2EPHX2
SCHEMBL13327422 0.81 NAMPT (0.32) NAMPT
SCHEMBL1837169 0.81 BRD4 (0.42) BRD4TSHRGAAPRKCANR1H2
SCHEMBL51471 0.80 BRD4 (0.39) BRD4TSHRGAAPRKCANR1H2
SCHEMBL24197361 0.80 BRD4 (0.50) BRD4TSHRGAAHSD17B10MGAM
SCHEMBL2036054 0.80
SCHEMBL6344069 0.79 BRD4 (0.41) BRD4TSHRGAANR1H2HSD17B10
SCHEMBL16841435 0.79 BRD4 (0.41) BRD4TSHRGAAPRKCANR1H2
SCHEMBL23224016 0.78 BRD4 (0.40) BRD4TSHRGAAPRKCANR1H2

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 BRD4 1224/4885TSHR 263/4885GAA 4787/4885
US-20130023551-A1 DISPIRO TETRAOXANE COMPOUNDS NR1H3, NR1H2, NR1I2 BRD4 660/4885TSHR 257/4885GAA 4815/4885

“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.