SCHEMBL6945225

SCHEMBL6945225

O=C(O)C1CC(O)CN1S(=O)(=O)c1ccc2ccccc2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 5/20 0.54
AKR1C1 Q04828 2/20 0.54
MCL1 Q07820 1/20 0.50
MME P08473 1/20 0.48
ACE P12821 1/20 0.48
ECE1 P42892 1/20 0.48
ALDH1A1 P00352 3/20 0.47
KDM4E B2RXH2 2/20 0.47
LMNA P02545 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HCRTR1 O43613 1/20 0.46
HCRTR2 O43614 1/20 0.46
MCOLN3 Q8TDD5 3/20 0.45
TSHR P16473 1/20 0.45
PKM P14618 1/20 0.45
CCR4 P51679 2/20 0.44
CTDSP1 Q9GZU7 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
CA12 O43570 1/20 0.44

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
SCHEMBL5415726 1.00 AKR1C3 (0.54) AKR1C3AKR1C1MCL1MMEACE
SCHEMBL6977959 0.86 ECE1 (0.62) AKR1C3AKR1C1MCL1MMEACE
SCHEMBL7141433 0.86 ECE1 (0.62) AKR1C3AKR1C1MCL1MMEACE
SCHEMBL5409165 0.85 MME (0.49) AKR1C3AKR1C1MMEACEECE1
SCHEMBL7166230 0.85 MME (0.49) AKR1C3AKR1C1MMEACEECE1
SCHEMBL6980507 0.85 MME (0.49) AKR1C3AKR1C1MMEACEECE1
SCHEMBL7138285 0.85 AKR1C3 (0.52) AKR1C3AKR1C1MCL1MMEACE
SCHEMBL7141900 0.85 AKR1C3 (0.52) AKR1C3AKR1C1MCL1MMEACE
SCHEMBL5497274 0.85 MMP2 (0.53) ALDH1A1TSHRTDP1L3MBTL1CA12
SCHEMBL5497278 0.85 MMP2 (0.53) ALDH1A1TSHRTDP1L3MBTL1CA12

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 AKR1C3 1134/4885AKR1C1 1088/4885MCL1 2684/4885
US-20030073641-A1 Novel N-(arylsulphonyl) amino acid derivatives, process for their preparation and pharmaceutical compositions containing them CYP2C9, ADRM1, ADRA1D AKR1C3 1134/4885AKR1C1 1088/4885MCL1 2684/4885

“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.