SCHEMBL2000749

SCHEMBL2000749

Cc1cccc(C)c1OCc1noc(C2CCC2)c1COc1ccc(-c2ccc3cc(C(=O)O)ncc3c2)cc1

nearest known ligand 0.51

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 20/20 0.51
HSD17B13 Q7Z5P4 2/20 0.45
FABP1 P07148 8/20 0.43
FABP4 P15090 2/20 0.42

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
SCHEMBL2000273 0.92 NR1H4 (0.42) NR1H4HSD17B13FABP1FABP4
SCHEMBL1999029 0.85 NR1H4 (0.67) NR1H4
SCHEMBL4341584 0.84 NR1H4 (0.53) NR1H4
SCHEMBL13335357 0.81 NR1H4 (0.71) NR1H4HSD17B13FABP1FABP4
SCHEMBL1999449 0.78 NR1H4 (0.65) NR1H4HSD17B13FABP1FABP4
SCHEMBL2006569 0.78 NR1H4 (0.74) NR1H4HSD17B13FABP1FABP4
SCHEMBL4332220 0.77 NR1H4 (0.46) NR1H4
SCHEMBL2003064 0.77 NR1H4 (0.57) NR1H4
SCHEMBL4336901 0.75 NR1H4 (0.53) NR1H4
SCHEMBL14215804 0.74 NR1H4 (0.41) NR1H4

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
US-20100120775-A1 Farnesoid X Receptor Agonists SMITHKLINE BEECHAM CORPORATION (US) 2010-05-13 US claimed
US-7960552-B2 6-[4-({[3-(2,6-Dichlorophenyl)-5-(1-methylethyl)-4-isoxazolyl]methyl}oxy)phenyl]-2-quinolinecarboxylic acid and the potassium salt; antidiabetic agents; improved glucose tolerance and decreased insulin resistance GLAXOSMITHKLINE LLC (US) 2011-06-14 US disclosed
US-7960552-B2 6-[4-({[3-(2,6-Dichlorophenyl)-5-(1-methylethyl)-4-isoxazolyl]methyl}oxy)phenyl]-2-quinolinecarboxylic acid and the potassium salt; antidiabetic agents; improved glucose tolerance and decreased insulin resistance GLAXOSMITHKLINE LLC (US) 2011-06-14 US disclosed
US-7960552-B2 6-[4-({[3-(2,6-Dichlorophenyl)-5-(1-methylethyl)-4-isoxazolyl]methyl}oxy)phenyl]-2-quinolinecarboxylic acid and the potassium salt; antidiabetic agents; improved glucose tolerance and decreased insulin resistance GLAXOSMITHKLINE LLC (US) 2011-06-14 US disclosed
US-20100120775-A1 Farnesoid X Receptor Agonists SMITHKLINE BEECHAM CORPORATION (US) 2010-05-13 US disclosed
US-20100120775-A1 Farnesoid X Receptor Agonists SMITHKLINE BEECHAM CORPORATION (US) 2010-05-13 US disclosed
US-20100120775-A1 Farnesoid X Receptor Agonists SMITHKLINE BEECHAM CORPORATION (US) 2010-05-13 US disclosed
EP-2079307-A2 FARNESOID X RECEPTOR AGONISTS SmithKline Beecham Corporation (US) 2009-07-22 EP disclosed
WO-2008051942-A2 FARNESOID X RECEPTOR AGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2008-05-02 WO disclosed
WO-2008051942-A2 FARNESOID X RECEPTOR AGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2008-05-02 WO disclosed
US-20080096921-A1 FARNESOID X RECEPTOR AGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2008-04-24 US disclosed
US-20080096921-A1 FARNESOID X RECEPTOR AGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2008-04-24 US disclosed
US-20080096921-A1 FARNESOID X RECEPTOR AGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2008-04-24 US 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-20100120775-A1 Farnesoid X Receptor Agonists NR1H4, NR1H3, NR1H2 NR1H4 1/4885HSD17B13 156/4885FABP1 143/4885
US-20080096921-A1 FARNESOID X RECEPTOR AGONISTS NR1H4, NR1H3, NR1H2 NR1H4 1/4885HSD17B13 156/4885FABP1 143/4885

“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.