SCHEMBL544572

SCHEMBL544572

CC1(C)OB(c2ccc(Cl)c(OCc3ccccc3)c2)OC1(C)C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.51
LIPG Q9Y5X9 5/20 0.44
LPL P06858 4/20 0.44
MGAM O43451 1/20 0.42
GAA P10253 1/20 0.42
SI P14410 1/20 0.42
MGAM2 Q2M2H8 1/20 0.42
EGFR P00533 2/20 0.41
MRGPRX4 Q96LA9 1/20 0.40
NOTUM Q6P988 1/20 0.39
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HPGD P15428 2/20 0.39
NPC1 O15118 2/20 0.39
NFKB1 P19838 2/20 0.39
RAB9A P51151 2/20 0.39
NFKB2 Q00653 2/20 0.39
RELA Q04206 2/20 0.39

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
SCHEMBL28738862 0.90 DGAT1 (0.51) DGAT1LIPGLPLEGFRMRGPRX4
SCHEMBL17474563 0.88 DGAT1 (0.54) DGAT1LIPGLPLEGFRMAPT
SCHEMBL23484499 0.87 LPL (0.48) DGAT1LIPGLPLEGFRMAPT
SCHEMBL190136 0.86 DGAT1 (0.43) DGAT1LIPGLPLEGFRNPC1
SCHEMBL31748489 0.85 DGAT1 (0.52) DGAT1LIPGLPLEGFRMAPT
SCHEMBL3767677 0.85 DGAT1 (0.52) DGAT1LIPGLPLEGFRMRGPRX4
SCHEMBL15884409 0.84 EGFR (0.52) DGAT1LIPGLPLEGFRHPGD
SCHEMBL15913151 0.84 DGAT1 (0.51) DGAT1LIPGLPLEGFRMRGPRX4
SCHEMBL182480 0.84 DGAT1 (0.51) DGAT1LIPGLPLEGFRMAPK1
SCHEMBL2415783 0.82 LPL (0.44) LIPGLPLGAAEGFRMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2439193-B1 Derivatives of 5,6-bisaryl-2-pyridine-carboxamide, preparation and use thereof in therapeutics as antagonists of urotensin II receptors SANOFI SA (FR) 2014-04-23 EP disclosed
US-8552201-B2 5, 6-bisaryl-2-pyridine-carboxamide derivatives, preparation and application thereof in therapeutics as urotensin II receptor antagonists SANOFI (FR) 2013-10-08 US disclosed
US-20120108611-A1 5, 6-BISARYL-2-PYRIDINE-CARBOXAMIDE DERIVATIVES, PREPARATION AND APPLICATION THEREOF IN THERAPEUTICS AS UROTENSIN II RECEPTOR ANTAGONISTS SANOFI-AVENTIS 2012-05-03 US disclosed
EP-2059508-B1 5,6-BISARYL-2-PYRIDINE-CARBOXAMIDE DERIVATIVES, PREPARATION AND APPLICATION THEREOF IN THERAPEUTICS AS UROTENSIN II RECEPTOR ANTAGONISTS SANOFI SA (FR) 2012-04-11 EP disclosed
US-8110579-B2 5,6-bisaryl-2-pyridine-carboxamide derivatives, preparation and application thereof in therapeutics as urotensin II receptor antagonists SANOFI-AVENTIS (FR) 2012-02-07 US disclosed
US-20090318473-A1 5,6-BISARYL-2-PYRIDINE-CARBOXAMIDE DERIVATIVES, PREPARATION AND APPLICATION THEREOF IN THERAPEUTICS AS UROTENSIN II RECEPTOR ANTAGONISTS SANOFI AVENTIS 2009-12-24 US disclosed
EP-2059508-A1 5,6-BISARYL-2-PYRIDINE-CARBOXAMIDE DERIVATIVES, PREPARATION AND APPLICATION THEREOF IN THERAPEUTICS AS UROTENSIN II RECEPTOR ANTAGONISTS Sanofi-Aventis (FR) 2009-05-20 EP disclosed
EP-1841425-A4 PHENYL-SUBSTITUTED PYRROLIDONES IRM LLC A DELWARE LTD LIABILIT (BM) 2009-02-18 EP disclosed
US-20080287516-A1 Phenyl-Substituted Pyrrolidones IRM LLC (BM) 2008-11-20 US disclosed
US-20080287516-A1 Phenyl-Substituted Pyrrolidones IRM LLC (BM) 2008-11-20 US disclosed
WO-2008020124-A1 5,6-BISARYL-2-PYRIDINE-CARBOXAMIDE DERIVATIVES, PREPARATION AND APPLICATION THEREOF IN THERAPEUTICS AS UROTENSIN II RECEPTOR ANTAGONISTS SANOFI-AVENTIS (FR) 2008-02-21 WO disclosed
EP-1841425-A2 PHENYL-SUBSTITUTED PYRROLIDONES IRM LLC A Delware Limited Liability Company (BM) 2007-10-10 EP disclosed
EP-1841424-A2 SYNTHESIS OF ARYL PYRROLIDONES IRM, LLC (BM) 2007-10-10 EP disclosed
WO-2006081554-A2 PHENYL-SUBSTITUTED PYRROLIDONES IRM LLC (BM) 2006-08-03 WO disclosed
WO-2006081562-A2 SYNTHESIS OF ARYL PYRROLIDONES IRM LLC (BM) 2006-08-03 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-20090318473-A1 5,6-BISARYL-2-PYRIDINE-CARBOXAMIDE DERIVATIVES, PREPARATION AND APPLICATION THEREOF IN THERAPEUTICS AS UROTENSIN II RECEPTOR ANTAGONISTS UTS2R, PLAUR, NTSR2 DGAT1 4221/4885LIPG 2994/4885LPL 3246/4885
US-20120108611-A1 5, 6-BISARYL-2-PYRIDINE-CARBOXAMIDE DERIVATIVES, PREPARATION AND APPLICATION THEREOF IN THERAPEUTICS AS UROTENSIN II RECEPTOR ANTAGONISTS UTS2R, PLAUR, NTSR2 DGAT1 4221/4885LIPG 2994/4885LPL 3246/4885
US-20080287516-A1 Phenyl-Substituted Pyrrolidones MALT1, FKBP5, PREP DGAT1 4703/4885LIPG 3627/4885LPL 4242/4885

“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.