SCHEMBL3582790

SCHEMBL3582790

CCS(=O)(=O)Nc1c(-c2ccccc2)nc2ccccc2c1C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 5/20 0.58
PDE10A Q9Y233 3/20 0.58
TACR3 P29371 7/20 0.57
TSHR P16473 1/20 0.57
LMNA P02545 3/20 0.55
CYP2D6 P10635 1/20 0.53
CYP2C19 P33261 1/20 0.53
POLB P06746 1/20 0.49
KDM4E B2RXH2 1/20 0.48
MEN1 O00255 1/20 0.48
ALDH1A1 P00352 1/20 0.48
GAA P10253 1/20 0.48
MAPT P10636 1/20 0.48
HPGD P15428 1/20 0.48
GFER P55789 1/20 0.48
KMT2A Q03164 1/20 0.48
HSD17B10 Q99714 1/20 0.48
TACR2 P21452 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
SCHEMBL3585355 0.91 DHODH (0.54) DHODHPDE10ATACR3TSHRLMNA
SCHEMBL3577055 0.87 TACR3 (0.65) DHODHPDE10ATACR3TSHRLMNA
SCHEMBL3629848 0.85 DHODH (0.53) DHODHPDE10ATACR3TSHRLMNA
SCHEMBL3591336 0.85 DHODH (0.53) DHODHPDE10ATACR3TSHRLMNA
SCHEMBL3594333 0.83 DHODH (0.51) DHODHPDE10ATACR3TSHRLMNA
SCHEMBL3580239 0.82 DHODH (0.58) DHODHPDE10ATACR3TSHRLMNA
SCHEMBL3589665 0.81 DHODH (0.57) DHODHPDE10ATACR3TSHRLMNA
SCHEMBL3580153 0.81 DHODH (0.57) DHODHPDE10ATACR3TSHRLMNA
SCHEMBL3580968 0.81 PDE10A (0.56) DHODHPDE10ATACR3TSHRLMNA
SCHEMBL5123788 0.77 DHODH (0.54) DHODHPDE10ATACR3TSHRLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101370782-A Alkylsulphonamide quinolines ASTRAZENECA AB (SE) 2009-02-18 CN claimed
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
CN-101370782-A Alkylsulphonamide quinolines ASTRAZENECA AB (SE) 2009-02-18 CN 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 DHODH 2436/4885PDE10A 614/4885TACR3 1038/4885
US-20080293765-A1 Alkylsulphonamide Quinolines RECQL, NQO2, QDPR DHODH 2352/4885PDE10A 609/4885TACR3 673/4885
US-20100029717-A1 Alkylsulphonamide Quinolines RECQL, NQO2, QDPR DHODH 2352/4885PDE10A 609/4885TACR3 673/4885

“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.