SCHEMBL3576487

SCHEMBL3576487

O=C(NC(c1ccccc1)C1CC1)c1c(NS(=O)(=O)C2CC2)c(-c2ccccc2)nc2ccccc12

nearest known ligand 0.70

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TACR3 P29371 18/20 0.70
CYP2C9 P11712 2/20 0.58

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
SCHEMBL3576483 1.00 TACR3 (0.70) TACR3CYP2C9
SCHEMBL3591373 0.90 TACR3 (0.70) TACR3CYP2C9
SCHEMBL3591378 0.90 TACR3 (0.70) TACR3CYP2C9
SCHEMBL3590211 0.85 TACR3 (0.79) TACR3CYP2C9
SCHEMBL3580239 0.83 DHODH (0.58) TACR3
SCHEMBL3578449 0.82 CYP2C9 (0.75) TACR3CYP2C9
SCHEMBL3578446 0.82 CYP2C9 (0.75) TACR3CYP2C9
SCHEMBL1581361 0.82 TACR3 (0.72) TACR3CYP2C9
SCHEMBL4962240 0.80 TACR3 (0.70) TACR3CYP2C9
SCHEMBL4962235 0.80 TACR3 (0.70) TACR3CYP2C9

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 11 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
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

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 1038/4885CYP2C9 255/4885
US-20080293765-A1 Alkylsulphonamide Quinolines RECQL, NQO2, QDPR TACR3 673/4885CYP2C9 263/4885
US-20100029717-A1 Alkylsulphonamide Quinolines RECQL, NQO2, QDPR TACR3 673/4885CYP2C9 263/4885

“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.