SCHEMBL4886638

SCHEMBL4886638

CCOC(=O)C1CN(S(=O)(=O)c2ccc3c(Cl)c[nH]c3c2)CC(=O)N1CC1CCN(c2ccc(=O)n(C)n2)CC1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.39
KCNH2 Q12809 1/20 0.37
VCAM1 P19320 1/20 0.37
POLB P06746 2/20 0.36
APOBEC3A P31941 1/20 0.36
APOBEC3G Q9HC16 1/20 0.36
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.35
CYP2C9 P11712 1/20 0.35
HSD17B10 Q99714 1/20 0.35
ALDH1A1 P00352 3/20 0.35
LMNA P02545 1/20 0.35
HTT P42858 1/20 0.35
TP53 P04637 2/20 0.34
GAA P10253 1/20 0.34
SMN1; SMN2 Q16637 1/20 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
SCHEMBL4881811 0.93 ALDH1A1 (0.34) KDM4EKMT2AHSD17B10ALDH1A1LMNA
SCHEMBL4893162 0.93 ALDH1A1 (0.34) KDM4EKMT2AHSD17B10ALDH1A1LMNA
SCHEMBL4891916 0.92 HRH3 (0.36) KDM4EKMT2AHSD17B10ALDH1A1LMNA
SCHEMBL4893924 0.92 CASP3 (0.34) KDM4EKMT2AHSD17B10ALDH1A1LMNA
SCHEMBL4883292 0.91 F2 (0.36) KDM4EPOLBKMT2AMEN1CYP2C9
SCHEMBL4893645 0.91 F2 (0.36) KDM4EPOLBKMT2AMEN1CYP2C9
SCHEMBL4885059 0.91 F2 (0.36) KDM4EPOLBKMT2AMEN1CYP2C9
SCHEMBL5330394 0.90 CHRM5 (0.35) KDM4EHSD17B10ALDH1A1LMNAHTT
SCHEMBL4892814 0.90 HPGD (0.34) KDM4EKMT2AHSD17B10ALDH1A1LMNA
SCHEMBL4893430 0.89 F2 (0.34) KDM4EKCNH2KMT2AHSD17B10ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080221063-A1 Heterocyclic Sulfonamide Derivatives As Inhibitors Of Factor Xa ASTRAZENECA AB (SE) 2008-09-11 US claimed
US-20080214495-A1 Heterocyclic Sulfonamide Derivatives as Inhibitors of Factor Xa ASTRAZENECA AB (SE) 2008-09-04 US claimed
US-20080200431-A1 6-{4-[4-(3-Chloro-1H-indole-6-sulfonyl)-3-hydroxy-piperazine-1-carbonyl]-piperidin-1-yl}-2-methyl-2H-pyridazin-3-one for example; antithrombotic and anticoagulant; synthesis; combination therapy ASTRAZENECA AB (SE) 2008-08-21 US claimed
WO-2007008143-A1 HETEROCYCLIC SULFONAMIDE DERIVATIVES AS INHIBITORS OF FACTOR XA ASTRAZENECA AB (SE) 2007-01-18 WO claimed
WO-2007008146-A1 HETEROCYCLIC SULFONAMIDE DERIVATIVES AS INHIBITORS OF FACTOR XA ASTRAZENECA AB (SE) 2007-01-18 WO claimed
US-20080221063-A1 Heterocyclic Sulfonamide Derivatives As Inhibitors Of Factor Xa ASTRAZENECA AB (SE) 2008-09-11 US disclosed
US-20080214495-A1 Heterocyclic Sulfonamide Derivatives as Inhibitors of Factor Xa ASTRAZENECA AB (SE) 2008-09-04 US disclosed
US-20080200431-A1 6-{4-[4-(3-Chloro-1H-indole-6-sulfonyl)-3-hydroxy-piperazine-1-carbonyl]-piperidin-1-yl}-2-methyl-2H-pyridazin-3-one for example; antithrombotic and anticoagulant; synthesis; combination therapy ASTRAZENECA AB (SE) 2008-08-21 US disclosed
WO-2007008142-A1 HETEROCYCLIC SULFONAMIDE DERIVATIVES AS INHIBITORS OF FACTOR XA ASTRAZENECA AB (SE) 2007-01-18 WO disclosed
WO-2007008143-A1 HETEROCYCLIC SULFONAMIDE DERIVATIVES AS INHIBITORS OF FACTOR XA ASTRAZENECA AB (SE) 2007-01-18 WO disclosed
WO-2007008146-A1 HETEROCYCLIC SULFONAMIDE DERIVATIVES AS INHIBITORS OF FACTOR XA ASTRAZENECA AB (SE) 2007-01-18 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 (3 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-20080221063-A1 Heterocyclic Sulfonamide Derivatives As Inhibitors Of Factor Xa F12, F11, C1R KDM4E 2209/4885KCNH2 271/4885VCAM1 2251/4885
US-20080200431-A1 6-{4-[4-(3-Chloro-1H-indole-6-sulfonyl)-3-hydroxy-piperazine-1-carbonyl]-piperidin-1-yl}-2-methyl-2H-pyridazin-3-one for example; antithrombotic and anticoagulant; synthesis; combination therapy CYC1, F2, CBR1 KDM4E 2013/4885KCNH2 108/4885VCAM1 443/4885
US-20080214495-A1 Heterocyclic Sulfonamide Derivatives as Inhibitors of Factor Xa F10, F12, F11 KDM4E 2392/4885KCNH2 186/4885VCAM1 1837/4885

“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.