SCHEMBL2004640

SCHEMBL2004640

CC[C@@H](C)c1onc(-c2c(Cl)cccc2Cl)c1COc1ccc(-c2ccc3nc(C(=O)OC)ccc3c2)cc1

nearest known ligand 0.73

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 20/20 0.73
CYP1A2 P05177 1/20 0.73
CYP2C9 P11712 1/20 0.73

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
SCHEMBL2002204 1.00 NR1H4 (0.73) NR1H4CYP1A2CYP2C9
SCHEMBL12572018 1.00 NR1H4 (0.73) NR1H4CYP1A2CYP2C9
SCHEMBL2005313 0.93 NR1H4 (0.85) NR1H4CYP1A2CYP2C9
SCHEMBL2005033 0.92 NR1H4 (0.86) NR1H4CYP1A2CYP2C9
SCHEMBL12572013 0.92 NR1H4 (0.86) NR1H4CYP1A2CYP2C9
SCHEMBL2002724 0.92 NR1H4 (0.86) NR1H4CYP1A2CYP2C9
SCHEMBL4337574 0.87 NR1H4 (0.65) NR1H4CYP1A2CYP2C9
SCHEMBL2004177 0.86 NR1H4 (0.73) NR1H4CYP1A2CYP2C9
SCHEMBL2000682 0.85 NR1H4 (0.72) NR1H4CYP1A2CYP2C9
SCHEMBL2006445 0.85 NR1H4 (1.00) NR1H4CYP1A2CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
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 1/4885CYP1A2 163/4885CYP2C9 347/4885
US-20080096921-A1 FARNESOID X RECEPTOR AGONISTS NR1H4, NR1H3, NR1H2 NR1H4 1/4885CYP1A2 163/4885CYP2C9 347/4885

“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.