SCHEMBL1169867

SCHEMBL1169867

CCOC(=O)c1nc2n(c(=O)c1OS(C)(=O)=O)CCOC21CCCC1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.38
MTOR P42345 4/20 0.32
ALDH1A1 P00352 4/20 0.31
KDM5B Q9UGL1 2/20 0.31
MAPT P10636 2/20 0.31
KDM4E B2RXH2 2/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
NPC1 O15118 1/20 0.30
TP53 P04637 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
SCHEMBL14064603 0.96 L3MBTL1 (0.39) L3MBTL1MTORALDH1A1KDM5BMAPT
SCHEMBL1169753 0.93 L3MBTL1 (0.41) L3MBTL1MTORALDH1A1KDM4E
SCHEMBL12776772 0.89 L3MBTL1 (0.35) L3MBTL1MTORALDH1A1CYP3A4CYP2C9
SCHEMBL2079103 0.88 L3MBTL1 (0.34) L3MBTL1ALDH1A1MAPTCYP3A4CYP2C9
SCHEMBL2079661 0.88 GAA (0.36) L3MBTL1ALDH1A1
SCHEMBL1169799 0.83 L3MBTL1 (0.35) L3MBTL1ALDH1A1KDM5BMAPTKDM4E
SCHEMBL12778030 0.83 ALDH1A1 (0.35) L3MBTL1ALDH1A1KDM5BMAPTKDM4E
SCHEMBL2077750 0.82 TSHR (0.38) ALDH1A1MAPTNPC1TP53MAPK1
SCHEMBL1170023 0.81 L3MBTL1 (0.35) L3MBTL1ALDH1A1KDM5BMAPTKDM4E
SCHEMBL4823083 0.81 L3MBTL1 (0.35) L3MBTL1MTORALDH1A1MAPTNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7893055-B2 pyrimido[2,1-c][1,4]oxazine-2-carboxamide, N-[(1,5-dimethyl-1H-pyrazol-3-yl)methyl]-4,6,7,9-tetrahydro-3-hydroxy-9,9-dimethyl-4-oxo-; inhibits HIV integrase and prevent viral integration into human DNA BRISTOL-MYERS SQUIBB COMPANY (US) 2011-02-22 US disclosed
US-7893055-B2 pyrimido[2,1-c][1,4]oxazine-2-carboxamide, N-[(1,5-dimethyl-1H-pyrazol-3-yl)methyl]-4,6,7,9-tetrahydro-3-hydroxy-9,9-dimethyl-4-oxo-; inhibits HIV integrase and prevent viral integration into human DNA BRISTOL-MYERS SQUIBB COMPANY (US) 2011-02-22 US disclosed
US-7893055-B2 pyrimido[2,1-c][1,4]oxazine-2-carboxamide, N-[(1,5-dimethyl-1H-pyrazol-3-yl)methyl]-4,6,7,9-tetrahydro-3-hydroxy-9,9-dimethyl-4-oxo-; inhibits HIV integrase and prevent viral integration into human DNA BRISTOL-MYERS SQUIBB COMPANY (US) 2011-02-22 US disclosed
EP-1745052-B9 HIV INTEGRASE INHIBITORS: CYCLIC PYRIMIDINONE COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2009-10-28 EP disclosed
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
EP-1745052-B1 HIV INTEGRASE INHIBITORS: CYCLIC PYRIMIDINONE COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2008-08-20 EP disclosed
US-20080004265-A1 HIV Integrase Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2008-01-03 US disclosed
US-20080004265-A1 HIV Integrase Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2008-01-03 US disclosed
US-20080004265-A1 HIV Integrase Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2008-01-03 US disclosed
WO-2008002959-A2 HIV INTEGRASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2008-01-03 WO disclosed
US-7273859-B2 HIV integrase inhibitors: cyclic pyrimidinone compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2007-09-25 US disclosed
US-7273859-B2 HIV integrase inhibitors: cyclic pyrimidinone compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2007-09-25 US disclosed
WO-2007058646-A1 HIV INTEGRASE INHIBITORS: CYCLIC PYRIMIDINONE COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-05-24 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-20080004265-A1 HIV Integrase Inhibitors TYMP, POLN, IMPDH1 L3MBTL1 2458/4885MTOR 1468/4885ALDH1A1 348/4885

“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.