SCHEMBL2967463

SCHEMBL2967463

CN(C)S(=O)(=O)c1cc(F)ccc1CNC(=O)c1nc(C2CCOCC2)n(C)c(=O)c1O

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.45
CYP2C9 P11712 1/20 0.42
KCNE1 P15382 1/20 0.38
CCR1 P32246 1/20 0.38
KCNQ1 P51787 1/20 0.38
SLC22A2 O15244 1/20 0.35
CYP3A4 P08684 1/20 0.35
TMEM97 Q5BJF2 1/20 0.35
ABCG2 Q9UNQ0 1/20 0.35
P2RX7 Q99572 5/20 0.34
MAPK14 Q16539 1/20 0.34
AADAT Q8N5Z0 1/20 0.34
RIPK1 Q13546 1/20 0.33
MAPK1 P28482 1/20 0.33
PDE2A O00408 1/20 0.33
PDE9A O76083 2/20 0.33

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
SCHEMBL2968912 0.95 KCNH2 (0.44) KCNH2CYP2C9KCNE1CCR1KCNQ1
SCHEMBL2961299 0.91 KCNH2 (0.42) KCNH2CYP2C9KCNE1CCR1KCNQ1
SCHEMBL2960846 0.86 KCNH2 (0.41) KCNH2CYP2C9KCNE1CCR1KCNQ1
SCHEMBL2963376 0.81 KCNH2 (0.53) KCNH2CYP2C9KCNE1CCR1KCNQ1
SCHEMBL2965986 0.80 CYP2C9 (0.38) KCNH2CYP2C9KCNE1CCR1KCNQ1
SCHEMBL5534690 0.80 KCNH2 (0.49) KCNH2CYP2C9KCNE1CCR1KCNQ1
SCHEMBL2968014 0.80 KCNE1 (0.38) KCNH2CYP2C9KCNE1CCR1KCNQ1
SCHEMBL2960928 0.80 CYP2C9 (0.38) KCNH2CYP2C9KCNE1CCR1KCNQ1
SCHEMBL2967109 0.79 CYP2C9 (0.37) KCNH2CYP2C9KCNE1CCR1KCNQ1
SCHEMBL2957321 0.79 KCNE1 (0.38) KCNH2CYP2C9KCNE1CCR1KCNQ1

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 9 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 claimed
US-20080306051-A1 HIV Integrase Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2008-12-11 US claimed
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 KCNH2 3016/4885CYP2C9 655/4885KCNE1 3953/4885

“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.