SCHEMBL2961577

SCHEMBL2961577

CCOC(=O)c1nc(C2COCC2O)n(C)c(=O)c1O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OGFRL1 Q5TC84 1/20 0.38
KDM4E B2RXH2 5/20 0.33
ALDH1A1 P00352 3/20 0.33
KDM5B Q9UGL1 2/20 0.33
RXFP1 Q9HBX9 1/20 0.32
HTT P42858 1/20 0.32
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
ADORA3 P0DMS8 1/20 0.31
TSHR P16473 1/20 0.31
GABRA1 P14867 1/20 0.31
GABRG2 P18507 1/20 0.31
GABRB3 P28472 1/20 0.31
GABRA5 P31644 1/20 0.31
GABRA3 P34903 1/20 0.31
GABRA2 P47869 1/20 0.31
KMT2A Q03164 2/20 0.31
MEN1 O00255 1/20 0.31

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
SCHEMBL2963347 0.87 OGFRL1 (0.36) OGFRL1KDM4EALDH1A1KDM5BRXFP1
SCHEMBL2963777 0.80 OGFRL1 (0.38) OGFRL1KDM4EALDH1A1KDM5BRXFP1
SCHEMBL2961593 0.79 TDP2 (0.39) OGFRL1KDM4EALDH1A1HTTL3MBTL1
SCHEMBL12225747 0.77 ADORA2A (0.41) OGFRL1ALDH1A1L3MBTL1TSHRKMT2A
SCHEMBL6093597 0.73 HTT (0.52) KDM4EALDH1A1RXFP1HTTL3MBTL1
SCHEMBL2962667 0.72 KCNH2 (0.51) ALDH1A1SMN1; SMN2L3MBTL1TSHRKMT2A
SCHEMBL6094720 0.71 ALDH1A1 (0.39) KDM4EALDH1A1KDM5BRXFP1NPC1
SCHEMBL3060674 0.71 ALDH1A1 (0.44) KDM4EALDH1A1KDM5BRXFP1HTT
SCHEMBL4038494 0.68 OGFRL1 (0.35) OGFRL1KDM4EALDH1A1KDM5BHTT
SCHEMBL6087462 0.67 HTT (0.37) OGFRL1KDM4EALDH1A1HTTL3MBTL1

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 4168/4885KDM4E 690/4885ALDH1A1 327/4885

“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.