SCHEMBL6953145

SCHEMBL6953145

O=C(O)CC1c2ccccc2CCN1S(=O)(=O)c1ccc2ccccc2c1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.51
MAPT P10636 3/20 0.50
MEN1 O00255 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
KMT2A Q03164 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
AKR1C3 P42330 4/20 0.49
ALDH1A1 P00352 4/20 0.47
LMNA P02545 2/20 0.47
RECQL P46063 1/20 0.47
KDM4E B2RXH2 1/20 0.47
AKR1C1 Q04828 1/20 0.46
BDKRB1 P46663 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
MCL1 Q07820 2/20 0.45
ESR1 P03372 1/20 0.44
ESR2 Q92731 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
SCHEMBL2487757 0.86 BDKRB1 (0.59) THRBMAPTMEN1CYP3A4CYP2C9
SCHEMBL5915267 0.84 THRB (0.55) THRBMAPTMEN1CYP3A4CYP2C9
SCHEMBL2493345 0.83 TAS2R14 (0.55) THRBMAPTMEN1CYP3A4CYP2C9
SCHEMBL8391933 0.75 AKR1C3 (0.45) MEN1KMT2AAKR1C3ALDH1A1LMNA
SCHEMBL8391934 0.75 AKR1C3 (0.45) MEN1KMT2AAKR1C3ALDH1A1LMNA
SCHEMBL644906 0.74 THRB (0.58) THRBMAPTMEN1CYP3A4CYP2C9
SCHEMBL643279 0.74 BDKRB1 (0.58) THRBMAPTMEN1CYP3A4CYP2C9
SCHEMBL10596850 0.72 AKR1C3 (0.54) AKR1C3ALDH1A1LMNAKDM4EAKR1C1
SCHEMBL5332110 0.70 OPRM1 (0.57) MAPTMEN1CYP3A4CYP2C9CYP2C19
SCHEMBL14304627 0.70 MTNR1B (0.48) MAPTMEN1KMT2AKDM4E

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 THRB 2817/4885MAPT 3520/4885MEN1 2801/4885
US-20030073641-A1 Novel N-(arylsulphonyl) amino acid derivatives, process for their preparation and pharmaceutical compositions containing them CYP2C9, ADRM1, ADRA1D THRB 2817/4885MAPT 3520/4885MEN1 2801/4885

“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.