SCHEMBL4891916

SCHEMBL4891916

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

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.36
KMT2A Q03164 2/20 0.32
F2 P00734 1/20 0.32
PRSS1 P07477 1/20 0.32
SMN1; SMN2 Q16637 3/20 0.32
ALDH1A1 P00352 3/20 0.32
HPGD P15428 3/20 0.32
USP2 O75604 2/20 0.32
LMNA P02545 1/20 0.32
KDM4E B2RXH2 3/20 0.31
GAA P10253 3/20 0.31
HSD17B10 Q99714 2/20 0.31
MAPT P10636 2/20 0.31
CYP2C19 P33261 1/20 0.31
F10 P00742 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
SCHEMBL4893162 0.93 ALDH1A1 (0.34) HRH3KMT2AF2PRSS1SMN1; SMN2
SCHEMBL4881811 0.93 ALDH1A1 (0.34) HRH3KMT2AF2PRSS1SMN1; SMN2
SCHEMBL4886638 0.92 KDM4E (0.39) KMT2ASMN1; SMN2ALDH1A1LMNAKDM4E
SCHEMBL4893924 0.92 CASP3 (0.34) HRH3KMT2AF2PRSS1SMN1; SMN2
SCHEMBL4885059 0.91 F2 (0.36) HRH3KMT2AF2PRSS1SMN1; SMN2
SCHEMBL4883292 0.91 F2 (0.36) HRH3KMT2AF2PRSS1SMN1; SMN2
SCHEMBL4893645 0.91 F2 (0.36) HRH3KMT2AF2PRSS1SMN1; SMN2
SCHEMBL4883075 0.90 F10 (0.36) HRH3KMT2AF2PRSS1SMN1; SMN2
SCHEMBL4894977 0.90 F10 (0.36) HRH3KMT2AF2PRSS1SMN1; SMN2
SCHEMBL4894919 0.90 F10 (0.36) HRH3KMT2AF2PRSS1SMN1; SMN2

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 13 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
EP-1844054-A2 THIAZOLOPYRIMIDINE COMPOUNDS FOR THE MODULATION OF CHEMOKINE RECEPTOR ACTIVITY AstraZeneca AB (SE) 2007-10-17 EP 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
WO-2006064228-A2 THIAZOLOPYRAMIDINE COMPOUNDS FOR THE MODULATION OF CHEMOKINE RECEPTOR ACTIVITY ASTRAZENECA AB (SE) 2006-06-22 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 HRH3 88/4885KMT2A 2425/4885F2 12/4885
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 HRH3 169/4885KMT2A 2842/4885F2 2/4885
US-20080214495-A1 Heterocyclic Sulfonamide Derivatives as Inhibitors of Factor Xa F10, F12, F11 HRH3 31/4885KMT2A 4074/4885F2 9/4885

“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.