SCHEMBL13036664

SCHEMBL13036664

CCCCC(=O)OCC1OC(n2ccc(N)nc2=O)CC1COC(c1ccccc1)(c1ccccc1)c1ccc(OC)cc1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TYMP P19971 3/20 0.38
POLB P06746 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
P2RY2 P41231 3/20 0.34
P2RY4 P51582 3/20 0.34
P2RY6 Q15077 2/20 0.34
CACNA1F O60840 2/20 0.33
LMNA P02545 2/20 0.33
ALB P02768 2/20 0.33
MAPT P10636 2/20 0.33
CACNA1D Q01668 2/20 0.33
CACNA1S Q13698 2/20 0.33
CACNA1C Q13936 2/20 0.33
PDE3A Q14432 2/20 0.33
SLC6A1 P30531 2/20 0.33
POLG P54098 1/20 0.33
SLC6A11 P48066 1/20 0.33
ST6GAL1 P15907 1/20 0.32

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
SCHEMBL13036650 0.87 TYMP (0.41) TYMPPOLBP2RY2P2RY4P2RY6
SCHEMBL13036643 0.86 TYMP (0.42) TYMPPOLBP2RY2P2RY4P2RY6
SCHEMBL13036659 0.84 POLB (0.47) POLBL3MBTL1P2RY2P2RY4P2RY6
SCHEMBL13036663 0.82 POLB (0.46) POLBL3MBTL1P2RY2P2RY4P2RY6
SCHEMBL13036642 0.82 TYMP (0.38) TYMPPOLBP2RY2P2RY4P2RY6
SCHEMBL12885730 0.82 TYMP (0.38) TYMPPOLBP2RY2P2RY4P2RY6
SCHEMBL6885492 0.82 POLB (0.53) TYMPPOLBP2RY2P2RY4P2RY6
SCHEMBL6885494 0.82 POLB (0.53) TYMPPOLBP2RY2P2RY4P2RY6
SCHEMBL13036660 0.81 LMNA (0.45) POLBL3MBTL1P2RY2P2RY4P2RY6
SCHEMBL10095196 0.81 POLB (0.39) TYMPPOLBP2RY2P2RY4P2RY6

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-7829548-B2 Compounds useful in the treatment of HIV MEDIVIR AB (SE) 2010-11-09 US disclosed
EP-1835916-B1 COMPOUNDS USEFUL IN THE TREATMENT OF HIV MEDIVIR AB (SE) 2009-04-01 EP disclosed
US-20080176817-A1 Compounds Useful in the Treatment of Hiv MEDIVIR AB (SE) 2008-07-24 US 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-20080176817-A1 Compounds Useful in the Treatment of Hiv MTAP, NUDT1, TYMP TYMP 3/4885POLB 41/4885L3MBTL1 588/4885

“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.