Sugi Predict

Sugi Predict / Compounds / SCHEMBL4889878

SCHEMBL4889878

SCHEMBL4889878

Cc1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1[N+](=O)[O-]

nearest known ligand 0.76

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.76
▸ KMT2A Q03164 1/20 0.76
▸ L3MBTL1 Q9Y468 1/20 0.76
▸ MCOLN3 Q8TDD5 2/20 0.61
▸ CRHBP P24387 1/20 0.61
▸ CRHR2 Q13324 1/20 0.61
▸ SMN1; SMN2 Q16637 2/20 0.60
▸ ALDH1A1 P00352 4/20 0.58
▸ TGM2 P21980 10/20 0.53
▸ F13A1 P00488 7/20 0.53
▸ TGM1 P22735 4/20 0.53
▸ MAPT P10636 2/20 0.49
▸ LMNA P02545 2/20 0.49
▸ GAA P10253 1/20 0.48
▸ HTT P42858 1/20 0.48

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
SCHEMBL5301558 0.83 TGM2 (0.55) MEN1KMT2AL3MBTL1SMN1; SMN2ALDH1A1
SCHEMBL2820255 0.83 MEN1 (0.53) MEN1KMT2AL3MBTL1SMN1; SMN2ALDH1A1
SCHEMBL1871080 0.82 ALDH1A1 (0.67) ALDH1A1TGM2F13A1TGM1MAPT
SCHEMBL2376710 0.81 ABL1 (0.59) MEN1KMT2AL3MBTL1SMN1; SMN2ALDH1A1
SCHEMBL5738205 0.81 TGM2 (0.55) MEN1KMT2AL3MBTL1SMN1; SMN2ALDH1A1
SCHEMBL18229990 0.81 PKM (0.62) MEN1KMT2AALDH1A1MAPTLMNA
SCHEMBL375808 0.81 GAA (0.65) MEN1KMT2AL3MBTL1SMN1; SMN2ALDH1A1
SCHEMBL16665290 0.81 ALDH1A1 (0.68) MEN1KMT2AL3MBTL1SMN1; SMN2ALDH1A1
SCHEMBL18410584 0.80 TGM2 (0.65) MEN1KMT2ASMN1; SMN2ALDH1A1TGM2
SCHEMBL3835793 0.79 KMT2A (0.49) MEN1KMT2AL3MBTL1ALDH1A1TGM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
WO-2007008145-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 (2 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-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 MEN1 2133/4885KMT2A 2842/4885L3MBTL1 910/4885
US-20080214495-A1 Heterocyclic Sulfonamide Derivatives as Inhibitors of Factor Xa F10, F12, F11 MEN1 2045/4885KMT2A 4074/4885L3MBTL1 2408/4885

“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.