SCHEMBL3587309

SCHEMBL3587309

CS(=O)(=O)NCc1c(-c2ccccc2)nc2ccccc2c1C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 5/20 0.57
TSHR P16473 1/20 0.57
LMNA P02545 4/20 0.55
POLB P06746 1/20 0.55
DHODH Q02127 6/20 0.55
CYP2D6 P10635 1/20 0.53
CYP2C19 P33261 1/20 0.53
TACR3 P29371 5/20 0.50
TP53 P04637 1/20 0.49
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
SCHEMBL3580968 0.89 PDE10A (0.56) PDE10ATSHRLMNAPOLBDHODH
SCHEMBL1581143 0.83 TACR3 (0.65) PDE10ATSHRLMNAPOLBDHODH
SCHEMBL12049917 0.81 TACR3 (0.78) TSHRCYP2D6CYP2C19TACR3TP53
SCHEMBL14492079 0.79 PDE10A (0.68) PDE10ATSHRLMNAPOLBDHODH
SCHEMBL3577055 0.79 TACR3 (0.65) PDE10ATSHRLMNAPOLBDHODH
SCHEMBL4665929 0.79 TACR3 (0.64) PDE10ATSHRLMNAPOLBDHODH
SCHEMBL4667825 0.78 TACR3 (0.62) TSHRCYP2D6CYP2C19TACR3TP53
SCHEMBL8266273 0.78 TACR3 (0.66) TACR3TACR2
SCHEMBL5440405 0.78 PDE10A (0.54) PDE10ATSHRLMNAPOLBDHODH
SCHEMBL4245187 0.76 DHODH (0.65) PDE10ATSHRLMNAPOLBDHODH

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 PDE10A 614/4885TSHR 1185/4885LMNA 1750/4885
US-20080293765-A1 Alkylsulphonamide Quinolines RECQL, NQO2, QDPR PDE10A 609/4885TSHR 799/4885LMNA 1677/4885
US-20100029717-A1 Alkylsulphonamide Quinolines RECQL, NQO2, QDPR PDE10A 609/4885TSHR 799/4885LMNA 1677/4885

“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.