SCHEMBL4883307

SCHEMBL4883307

Cn1nc(C(C2CCNCC2)N2C(=O)CN(S(=O)(=O)c3ccc4c(Cl)c[nH]c4c3)CC2C(=O)O)ccc1=O

nearest known ligand 0.32

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
CYP2C19 P33261 1/20 0.32
HSD17B10 Q99714 1/20 0.32
ALDH1A1 P00352 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
LMNA P02545 1/20 0.32
F10 P00742 5/20 0.32
F2 P00734 1/20 0.31
PRSS1 P07477 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
SCHEMBL4881821 0.93 ALDH1A1 (0.33) GAAMAPTALDH1A1SMN1; SMN2LMNA
SCHEMBL4891921 0.93 ALDH1A1 (0.31) ALDH1A1SMN1; SMN2LMNA
SCHEMBL5326463 0.91 F10 (0.35) ALDH1A1SMN1; SMN2LMNAF10F2
SCHEMBL4893938 0.91 CASP3 (0.31) ALDH1A1SMN1; SMN2
SCHEMBL4938813 0.86 F10 (0.38) F10F2
SCHEMBL5360429 0.86 F10 (0.38) F10F2
SCHEMBL5328237 0.86 MEN1 (0.31)
SCHEMBL4936205 0.80 F10 (0.48) F10
SCHEMBL4888127 0.79 HTR6 (0.36) ALDH1A1SMN1; SMN2LMNA
SCHEMBL4939375 0.78 F10 (0.39) F10F2

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 12 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-2007008142-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
WO-2007008143-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-2007008146-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

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 GAA 3281/4885MAPT 4880/4885HPGD 1271/4885
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 GAA 4869/4885MAPT 4870/4885HPGD 1781/4885
US-20080214495-A1 Heterocyclic Sulfonamide Derivatives as Inhibitors of Factor Xa F10, F12, F11 GAA 4269/4885MAPT 4885/4885HPGD 2101/4885

“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.