SCHEMBL4823083

SCHEMBL4823083

CCOC(=O)c1nc2n(c(=O)c1OS(C)(=O)=O)CCOC2(CCl)COC(C)=O

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.35
MTOR P42345 2/20 0.30
NPC1 O15118 1/20 0.30
ALDH1A1 P00352 1/20 0.30
TP53 P04637 1/20 0.30
MAPT P10636 1/20 0.30
XBP1 P17861 1/20 0.30
MAPK1 P28482 1/20 0.30
HTT P42858 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
HSD17B10 Q99714 1/20 0.30
TLR9 Q9NR96 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
SCHEMBL4830956 0.85 L3MBTL1 (0.32) L3MBTL1NPC1ALDH1A1
SCHEMBL14072881 0.85 L3MBTL1 (0.33) L3MBTL1MTORNPC1ALDH1A1HSD17B10
SCHEMBL14064603 0.82 L3MBTL1 (0.39) L3MBTL1MTORNPC1ALDH1A1TP53
SCHEMBL1169867 0.81 L3MBTL1 (0.38) L3MBTL1MTORNPC1ALDH1A1TP53
SCHEMBL1169753 0.80 L3MBTL1 (0.41) L3MBTL1MTORALDH1A1
SCHEMBL12776772 0.78 L3MBTL1 (0.35) L3MBTL1MTORALDH1A1
SCHEMBL2079661 0.76 GAA (0.36) L3MBTL1ALDH1A1
SCHEMBL12778030 0.73 ALDH1A1 (0.35) L3MBTL1NPC1ALDH1A1TP53MAPT
SCHEMBL1170090 0.71 L3MBTL1 (0.36) L3MBTL1NPC1ALDH1A1MAPTMAPK1
SCHEMBL1169812 0.66 L3MBTL1 (0.36) L3MBTL1NPC1ALDH1A1MAPTMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7419969-B2 HIV integrase inhibitors: cyclic pyrimidinone compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2008-09-02 US disclosed
US-7419969-B2 HIV integrase inhibitors: cyclic pyrimidinone compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2008-09-02 US disclosed
WO-2007058646-A1 HIV INTEGRASE INHIBITORS: CYCLIC PYRIMIDINONE COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-05-24 WO disclosed
US-20060106007-A1 HIV integrase inhibitors: cyclic pyrimidinone compounds ROBERT BOSCH GMBH (DE) 2006-05-18 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-20060106007-A1 HIV integrase inhibitors: cyclic pyrimidinone compounds TYMP, TYMS, SAMHD1 L3MBTL1 2361/4885MTOR 655/4885NPC1 1706/4885

“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.