SCHEMBL2319684

SCHEMBL2319684

CS(=O)(=O)c1cc(F)cc(Cl)c1

nearest known ligand 0.49

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
EPAS1 Q99814 3/20 0.49
PTGS2 P35354 13/20 0.44
ACLY P53396 2/20 0.41
RAPGEF4 Q8WZA2 1/20 0.38

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
SCHEMBL1272284 0.84 PTGS2 (0.44) PTGS2ACLY
SCHEMBL776672 0.84 PTGS2 (0.45) PTGS2
SCHEMBL2055456 0.80 ACLY (0.38) EPAS1ACLYRAPGEF4
SCHEMBL16235568 0.78 CA1 (0.50) PTGS2
SCHEMBL15352296 0.78 EPAS1 (0.39) EPAS1ACLYRAPGEF4
SCHEMBL24757946 0.76 PTGS2 (0.40) PTGS2ACLYRAPGEF4
SCHEMBL12387975 0.76 PTGS2 (0.43) PTGS2
SCHEMBL1172365 0.74 PTGS2 (0.43) PTGS2
SCHEMBL8215750 0.74 PTGS2 (0.39) EPAS1PTGS2
SCHEMBL24156063 0.74 WDR5 (0.50) EPAS1PTGS2ACLY

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2352725-A1 QUINOXALINE-BASED LXR MODULATORS Wyeth LLC (US) 2011-08-10 EP disclosed
US-20100273816-A1 Quinazoline Compounds WYETH LLC 2010-10-28 US disclosed
WO-2010054229-A1 QUINOXALINE-BASED LXR MODULATORS WYETH LLC (US) 2010-05-14 WO disclosed
US-20100120778-A1 QUINOXALINE-BASED LXR MODULATORS WYETH (US) 2010-05-13 US disclosed
CN-101679311-A Quinazoline compound WYETH CORP 2010-03-24 CN disclosed
EP-2142517-A2 QUINAZOLINE COMPOUNDS Wyeth (US) 2010-01-13 EP disclosed
CN-101541751-A Quinoline compounds WYETH CORP (US) 2009-09-23 CN disclosed
EP-2074098-A2 QUINOLINE COMPOUNDS Wyeth (US) 2009-07-01 EP disclosed
WO-2009020683-A2 QUINAZOLINE COMPOUNDS WYETH (US) 2009-02-12 WO disclosed
WO-2008049047-A2 QUINOLINE COMPOUNDS WYETH (US) 2008-04-24 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 (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-20100120778-A1 QUINOXALINE-BASED LXR MODULATORS NR1H2, NR1H3, NR1H4 EPAS1 867/4885PTGS2 2590/4885ACLY 371/4885
US-20100273816-A1 Quinazoline Compounds NR1H3, NR1H2, NR1I3 EPAS1 2539/4885PTGS2 2501/4885ACLY 452/4885

“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.