SCHEMBL2963347

SCHEMBL2963347

CCOC(=O)c1nc(C2COCC2SC)n(C)c(=O)c1O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OGFRL1 Q5TC84 1/20 0.36
ALDH1A1 P00352 5/20 0.32
KDM4E B2RXH2 4/20 0.32
KDM5B Q9UGL1 2/20 0.32
RXFP1 Q9HBX9 1/20 0.31
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 3/20 0.31
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
PDE4A P27815 1/20 0.30
PDE4B Q07343 1/20 0.30
PDE4C Q08493 1/20 0.30
PDE4D Q08499 1/20 0.30
ADORA3 P0DMS8 1/20 0.30
GABRA1 P14867 2/20 0.30
GABRG2 P18507 2/20 0.30
GABRB3 P28472 2/20 0.30
GABRA5 P31644 2/20 0.30
GABRA3 P34903 2/20 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
SCHEMBL2961577 0.87 OGFRL1 (0.38) OGFRL1ALDH1A1KDM4EKDM5BRXFP1
SCHEMBL2963777 0.78 OGFRL1 (0.38) OGFRL1ALDH1A1KDM4EKDM5BRXFP1
SCHEMBL2961593 0.77 TDP2 (0.39) OGFRL1ALDH1A1KDM4EHTTL3MBTL1
SCHEMBL12225747 0.76 ADORA2A (0.41) OGFRL1ALDH1A1L3MBTL1TSHR
SCHEMBL2962684 0.75 KCNE1 (0.50) ALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL6093597 0.71 HTT (0.52) ALDH1A1KDM4ERXFP1HTTL3MBTL1
SCHEMBL6094720 0.70 ALDH1A1 (0.39) ALDH1A1KDM4EKDM5BRXFP1SMN1; SMN2
SCHEMBL3060674 0.69 ALDH1A1 (0.44) ALDH1A1KDM4EKDM5BRXFP1HTT
SCHEMBL4038494 0.66 OGFRL1 (0.35) OGFRL1ALDH1A1KDM4EKDM5BHTT
SCHEMBL6087462 0.65 HTT (0.37) OGFRL1ALDH1A1KDM4EHTTL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7763630-B2 pyrimidinone compounds such as N-(4-Fluorobenzyl)-5-hydroxy-1-methyl-6-oxo-2-(tetrahydrofuran-3-yl)-1,6-dihydropyrimidine-4-carboxamide, used for treating human immunodeficiency virus (HIV) and acquired immune deficiency syndrome (AIDS) BRISTOL-MYERS SQUIBB COMPANY (US) 2010-07-27 US disclosed
US-7763630-B2 pyrimidinone compounds such as N-(4-Fluorobenzyl)-5-hydroxy-1-methyl-6-oxo-2-(tetrahydrofuran-3-yl)-1,6-dihydropyrimidine-4-carboxamide, used for treating human immunodeficiency virus (HIV) and acquired immune deficiency syndrome (AIDS) BRISTOL-MYERS SQUIBB COMPANY (US) 2010-07-27 US disclosed
US-7763630-B2 pyrimidinone compounds such as N-(4-Fluorobenzyl)-5-hydroxy-1-methyl-6-oxo-2-(tetrahydrofuran-3-yl)-1,6-dihydropyrimidine-4-carboxamide, used for treating human immunodeficiency virus (HIV) and acquired immune deficiency syndrome (AIDS) BRISTOL-MYERS SQUIBB COMPANY (US) 2010-07-27 US disclosed
WO-2008154246-A1 HIV INTEGRASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2008-12-18 WO disclosed
US-20080306051-A1 HIV Integrase Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2008-12-11 US disclosed
US-20080306051-A1 HIV Integrase Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2008-12-11 US disclosed
US-20080306051-A1 HIV Integrase Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2008-12-11 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-20080306051-A1 HIV Integrase Inhibitors TYMP, IMPDH1, UNG OGFRL1 4168/4885ALDH1A1 327/4885KDM4E 690/4885

“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.