SCHEMBL6952091

SCHEMBL6952091

O=C(O)CC(NS(=O)(=O)c1ccc2c(c1)CCCC2)c1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.62
ATM Q13315 2/20 0.62
L3MBTL1 Q9Y468 2/20 0.62
EEF2K O00418 3/20 0.60
KDM4E B2RXH2 1/20 0.57
TDP1 Q9NUW8 1/20 0.57
OGT O15294 1/20 0.54
ITGB3 P05106 4/20 0.51
ITGAV P06756 4/20 0.51
KEAP1 Q14145 2/20 0.47
NFE2L2 Q16236 2/20 0.47
BDKRB1 P46663 3/20 0.47
BDKRB2 P30411 1/20 0.47

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
SCHEMBL5151693 0.82 L3MBTL1 (0.55) ALDH1A1ATML3MBTL1EEF2KKDM4E
SCHEMBL28404274 0.80 ATM (0.76) ALDH1A1ATML3MBTL1EEF2KITGB3
SCHEMBL644240 0.80 EEF2K (0.66) ALDH1A1ATML3MBTL1EEF2KITGB3
SCHEMBL3310158 0.80 EEF2K (0.66) ALDH1A1ATML3MBTL1EEF2KITGB3
SCHEMBL4141080 0.79 EEF2K (0.64) ALDH1A1ATML3MBTL1EEF2KOGT
SCHEMBL6772863 0.77 EEF2K (0.66) ALDH1A1ATML3MBTL1EEF2KOGT
SCHEMBL7572130 0.77 ATM (0.76) ALDH1A1ATML3MBTL1EEF2KITGB3
SCHEMBL7144205 0.76 EEF2K (0.64) ALDH1A1ATML3MBTL1EEF2KOGT
SCHEMBL7315916 0.75 EEF2K (0.69) ALDH1A1ATML3MBTL1EEF2KITGB3
SCHEMBL7140434 0.75 EEF2K (0.69) ALDH1A1ATML3MBTL1EEF2KITGB3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6610882-B2 Affinity for bradykinin receptors; antithrombotics SANOFI-SYNTHELABO (FR) 2003-08-26 US disclosed
US-20030073641-A1 Novel N-(arylsulphonyl) amino acid derivatives, process for their preparation and pharmaceutical compositions containing them SANOFI-AVENTIS (FR) 2003-04-17 US disclosed
US-20020115685-A1 Novel N-(arylsulphonyl) amino acid derivatives, process for their preparation and pharmaceutical compositions containing them SANOFI-AVENTIS (FR) 2002-08-22 US disclosed
US-6433185-B1 ANTIINFLAMMATORY AGENTS; ANALGESICS SANOFI-SYNTHELABO (FR) 2002-08-13 US disclosed
US-6313120-B1 TREATMENT OR PREVENTION OF DISEASES INVOLVING BRADYKININ RECEPTORS SANOFI-SYNTHELABO (FR) 2001-11-06 US disclosed
US-6100278-A COMPOUNDS HAVING AFFINITY FOR BRADYKININ RECEPTORS; ANTIINFLAMMATORY AGENTS SANOFI-SYNTHELABO (FR) 2000-08-08 US disclosed
US-6015812-A N-(arylsulphonyl)amino acid derivatives having bradykinin receptor affinity SANOFI-SYNTHELABO (FR) 2000-01-18 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 (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-20020115685-A1 Novel N-(arylsulphonyl) amino acid derivatives, process for their preparation and pharmaceutical compositions containing them CYP2C9, ADRM1, ADRA1D ALDH1A1 503/4885ATM 4322/4885L3MBTL1 4719/4885
US-20030073641-A1 Novel N-(arylsulphonyl) amino acid derivatives, process for their preparation and pharmaceutical compositions containing them CYP2C9, ADRM1, ADRA1D ALDH1A1 503/4885ATM 4322/4885L3MBTL1 4719/4885

“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.