SCHEMBL3585351

SCHEMBL3585351

CS(=O)(=O)Nc1c(-c2cccc(F)c2)nc2ccccc2c1C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TACR3 P29371 13/20 0.54
ADORA2A P29274 1/20 0.48
DHODH Q02127 3/20 0.48
PDE10A Q9Y233 2/20 0.48
CYP2D6 P10635 1/20 0.47
CYP2C19 P33261 1/20 0.47
TSHR P16473 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
SCHEMBL3577055 0.88 TACR3 (0.65) TACR3DHODHPDE10ACYP2D6CYP2C19
SCHEMBL5029775 0.81 TACR3 (0.49) TACR3ADORA2ADHODHPDE10ACYP2D6
SCHEMBL4875465 0.80 PDE10A (0.74) TACR3DHODHPDE10ATSHR
SCHEMBL4666226 0.78 DHODH (0.68) TACR3ADORA2ADHODHPDE10ATSHR
SCHEMBL3578449 0.78 CYP2C9 (0.75) TACR3
SCHEMBL3578446 0.78 CYP2C9 (0.75) TACR3
SCHEMBL3582790 0.76 DHODH (0.58) TACR3DHODHPDE10ACYP2D6CYP2C19
SCHEMBL3580153 0.75 DHODH (0.57) TACR3DHODHPDE10ACYP2D6CYP2C19
SCHEMBL26336654 0.74 TACR3 (0.66) TACR3DHODHPDE10ACYP2D6CYP2C19
SCHEMBL15491402 0.74 DHODH (0.58) TACR3ADORA2ADHODHPDE10ATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080293765-A1 Alkylsulphonamide Quinolines ASTRAZENECA AB (SE) 2008-11-27 US claimed
EP-1968944-A1 ALKYLSULPHONAMIDE QUINOLINES AstraZeneca AB (SE) 2008-09-17 EP claimed
US-20080021062-A1 Alkylsulphonamide Quinolines ASTRAZENECA AB (SE) 2008-01-24 US claimed
WO-2007069977-A1 ALKYLSULPHONAMIDE QUINOLINES ASTRAZENECA AB (SE) 2007-06-21 WO claimed
US-8071621-B2 Alkylsulphonamide quinolines ASTRAZENECA AB (SE) 2011-12-06 US disclosed
US-20100029717-A1 Alkylsulphonamide Quinolines SIMPSON THOMAS 2010-02-04 US disclosed
US-7608628-B2 Alkylsulphonamide quinolines ASTRAZENECA AB (SE) 2009-10-27 US disclosed
US-20080293765-A1 Alkylsulphonamide Quinolines ASTRAZENECA AB (SE) 2008-11-27 US disclosed
EP-1968944-A1 ALKYLSULPHONAMIDE QUINOLINES AstraZeneca AB (SE) 2008-09-17 EP disclosed
EP-1615633-A4 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS WITH ENHANCED EFFICACY ANORMED INC (CA) 2008-07-09 EP disclosed
US-20080021062-A1 Alkylsulphonamide Quinolines ASTRAZENECA AB (SE) 2008-01-24 US disclosed
WO-2007069977-A1 ALKYLSULPHONAMIDE QUINOLINES ASTRAZENECA AB (SE) 2007-06-21 WO disclosed
EP-1615633-A2 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS WITH ENHANCED EFFICACY ANORMED INC. (CA) 2006-01-18 EP disclosed
WO-2004093817-A2 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS WITH ENHANCED EFFICACY ANORMED INC. (CA) 2004-11-04 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 (3 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-20080021062-A1 Alkylsulphonamide Quinolines RECQL, NQO2, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 TACR3 1038/4885ADORA2A 180/4885DHODH 2436/4885
US-20080293765-A1 Alkylsulphonamide Quinolines RECQL, NQO2, QDPR TACR3 673/4885ADORA2A 217/4885DHODH 2352/4885
US-20100029717-A1 Alkylsulphonamide Quinolines RECQL, NQO2, QDPR TACR3 673/4885ADORA2A 217/4885DHODH 2352/4885

“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.