SCHEMBL6945270

SCHEMBL6945270

O=C(O)CC1CC(OCc2ccccc2)CN1S(=O)(=O)c1ccc2ccccc2c1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 1/20 0.53
BDKRB2 P30411 2/20 0.52
AKR1C3 P42330 3/20 0.43
AKR1C1 Q04828 1/20 0.43
CCR4 P51679 5/20 0.42
MC4R P32245 1/20 0.41
MC3R P41968 1/20 0.41
MC1R Q01726 1/20 0.41
MME P08473 1/20 0.40
ACE P12821 1/20 0.40
ECE1 P42892 1/20 0.40
MCL1 Q07820 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
ELANE P08246 1/20 0.40
CTDSP1 Q9GZU7 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
EIF2AK3 Q9NZJ5 1/20 0.39

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
SCHEMBL6951034 1.00 MMP9 (0.53) MMP9BDKRB2AKR1C3AKR1C1CCR4
SCHEMBL6946762 0.90 MMP9 (0.52) MMP9BDKRB2AKR1C3AKR1C1CCR4
SCHEMBL7846611 0.90 MMP9 (0.52) MMP9BDKRB2AKR1C3AKR1C1CCR4
SCHEMBL6949077 0.85 MMP9 (0.50) MMP9BDKRB2AKR1C3AKR1C1CCR4
SCHEMBL7844033 0.85 MMP9 (0.50) MMP9BDKRB2AKR1C3AKR1C1CCR4
SCHEMBL5401022 0.79 MMP9 (0.44) MMP9BDKRB2AKR1C3AKR1C1CCR4
SCHEMBL5414263 0.76 MMP9 (0.41) MMP9BDKRB2AKR1C3AKR1C1CCR4
SCHEMBL5414258 0.76 MMP9 (0.41) MMP9BDKRB2AKR1C3AKR1C1CCR4
SCHEMBL7843970 0.76 BDKRB2 (0.44) MMP9BDKRB2AKR1C3AKR1C1MCL1
SCHEMBL5401021 0.76 MMP9 (0.41) MMP9BDKRB2AKR1C3AKR1C1CCR4

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 MMP9 3790/4885BDKRB2 1658/4885AKR1C3 1134/4885
US-20030073641-A1 Novel N-(arylsulphonyl) amino acid derivatives, process for their preparation and pharmaceutical compositions containing them CYP2C9, ADRM1, ADRA1D MMP9 3790/4885BDKRB2 1658/4885AKR1C3 1134/4885

“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.