SCHEMBL2811267

SCHEMBL2811267

CC(C)c1onc(-c2c(Cl)cccc2Cl)c1COc1ccc(-c2ccc3c(C(=O)O)cc(=O)oc3c2)cc1

nearest known ligand 0.74

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 20/20 0.74
CYP1A2 P05177 2/20 0.74
CYP2C9 P11712 2/20 0.74
NR1I2 O75469 1/20 0.74
CYP3A4 P08684 1/20 0.74
LIFR P42702 1/20 0.69

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
SCHEMBL2813809 0.91 NR1H4 (0.63) NR1H4CYP1A2CYP2C9NR1I2CYP3A4
SCHEMBL2813486 0.88 NR1H4 (0.79) NR1H4CYP1A2CYP2C9NR1I2CYP3A4
SCHEMBL3638812 0.87 NR1H4 (0.56) NR1H4CYP1A2CYP2C9NR1I2CYP3A4
SCHEMBL2115258 0.85 NR1H4 (1.00) NR1H4CYP1A2CYP2C9NR1I2CYP3A4
SCHEMBL2114750 0.84 NR1H4 (0.98) NR1H4CYP1A2CYP2C9NR1I2CYP3A4
SCHEMBL2113248 0.84 NR1H4 (1.00) NR1H4CYP1A2CYP2C9NR1I2CYP3A4
SCHEMBL2000212 0.84 NR1H4 (0.79) NR1H4CYP1A2CYP2C9NR1I2CYP3A4
SCHEMBL2812715 0.84 NR1H4 (1.00) NR1H4CYP1A2CYP2C9NR1I2CYP3A4
SCHEMBL2003273 0.84 NR1H4 (1.00) NR1H4CYP1A2CYP2C9NR1I2CYP3A4
SCHEMBL2810906 0.83 NR1H4 (0.82) NR1H4CYP1A2CYP2C9NR1I2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100249179-A1 Farnesoid X Receptor Agonists SMITHKLINE BEECHAM CORPORATION (US) 2010-09-30 US claimed
EP-2170072-A1 FARNESOID X RECEPTOR AGONISTS GlaxoSmithKline LLC (US) 2010-04-07 EP claimed
WO-2008157270-A1 FARNESOID X RECEPTOR AGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2008-12-24 WO claimed
US-20100249179-A1 Farnesoid X Receptor Agonists SMITHKLINE BEECHAM CORPORATION (US) 2010-09-30 US disclosed
US-20100249179-A1 Farnesoid X Receptor Agonists SMITHKLINE BEECHAM CORPORATION (US) 2010-09-30 US disclosed
US-20100249179-A1 Farnesoid X Receptor Agonists SMITHKLINE BEECHAM CORPORATION (US) 2010-09-30 US disclosed
EP-2170072-A1 FARNESOID X RECEPTOR AGONISTS GlaxoSmithKline LLC (US) 2010-04-07 EP disclosed
WO-2008157270-A1 FARNESOID X RECEPTOR AGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2008-12-24 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 (1 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-20100249179-A1 Farnesoid X Receptor Agonists NR1H4, NR1H3, NR1H2 NR1H4 1/4885CYP1A2 219/4885CYP2C9 508/4885

“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.