SCHEMBL2114897

SCHEMBL2114897

CC(C)c1onc(-c2c(Cl)cccc2Cl)c1COc1ccc(-c2ccc3cc(C(=O)O)ccc3c2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 20/20 1.00
LIFR P42702 2/20 0.86
CYP1A2 P05177 2/20 0.78
CYP2C9 P11712 2/20 0.78
NR1I2 O75469 1/20 0.77
CYP3A4 P08684 1/20 0.77

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
SCHEMBL2114048 0.99 NR1H4 (1.00) NR1H4LIFRCYP1A2CYP2C9NR1I2
SCHEMBL1179491 0.94 NR1H4 (1.00) NR1H4LIFRCYP1A2CYP2C9NR1I2
SCHEMBL30080792 0.93 NR1H4 (1.00) NR1H4LIFRCYP1A2CYP2C9NR1I2
SCHEMBL1180266 0.92 NR1H4 (1.00) NR1H4LIFRCYP1A2CYP2C9
SCHEMBL1179780 0.91 NR1H4 (0.98) NR1H4LIFRCYP1A2CYP2C9
SCHEMBL2419547 0.91 NR1H4 (0.84) NR1H4LIFRCYP1A2CYP2C9NR1I2
SCHEMBL2000419 0.91 NR1H4 (1.00) NR1H4LIFRCYP1A2CYP2C9NR1I2
SCHEMBL2114524 0.90 NR1H4 (0.85) NR1H4LIFRCYP1A2CYP2C9NR1I2
SCHEMBL21624446 0.90 NR1H4 (1.00) NR1H4LIFR
SCHEMBL30080608 0.89 NR1H4 (0.83) NR1H4LIFRCYP1A2CYP2C9NR1I2

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8158665-B2 Farnesoid X receptor agonists GLAXOSMITHKLINE LLC (US) 2012-04-17 US claimed
EP-1962838-B1 FARNESOID X RECEPTOR AGONISTS GLAXOSMITHKLINE LLC (US) 2011-09-28 EP claimed
US-20100160398-A1 Farnesoid X Receptor Agonists GLAXOSMITHKLINE LLC 2010-06-24 US claimed
US-7705028-B2 Farnesoid X receptor agonists GLAXOSMITHKLINE LLC (US) 2010-04-27 US claimed
EP-1962838-A2 FARNESOID X RECEPTOR AGONISTS Smithkline Beecham Corporation (US) 2008-09-03 EP claimed
US-20080167356-A1 FARNESOID X RECEPTOR AGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2008-07-10 US claimed
WO-2007076260-A2 FARNESOID X RECEPTOR AGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2007-07-05 WO claimed
US-8158665-B2 Farnesoid X receptor agonists GLAXOSMITHKLINE LLC (US) 2012-04-17 US disclosed
US-8158665-B2 Farnesoid X receptor agonists GLAXOSMITHKLINE LLC (US) 2012-04-17 US disclosed
US-8158665-B2 Farnesoid X receptor agonists GLAXOSMITHKLINE LLC (US) 2012-04-17 US disclosed
EP-1962838-B1 FARNESOID X RECEPTOR AGONISTS GLAXOSMITHKLINE LLC (US) 2011-09-28 EP disclosed
US-20100160398-A1 Farnesoid X Receptor Agonists GLAXOSMITHKLINE LLC 2010-06-24 US disclosed
US-20100160398-A1 Farnesoid X Receptor Agonists GLAXOSMITHKLINE LLC 2010-06-24 US disclosed
US-7705028-B2 Farnesoid X receptor agonists GLAXOSMITHKLINE LLC (US) 2010-04-27 US disclosed
US-7705028-B2 Farnesoid X receptor agonists GLAXOSMITHKLINE LLC (US) 2010-04-27 US disclosed
EP-1962838-A2 FARNESOID X RECEPTOR AGONISTS Smithkline Beecham Corporation (US) 2008-09-03 EP disclosed
US-20080167356-A1 FARNESOID X RECEPTOR AGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2008-07-10 US disclosed
US-20080167356-A1 FARNESOID X RECEPTOR AGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2008-07-10 US disclosed
US-20080167356-A1 FARNESOID X RECEPTOR AGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2008-07-10 US disclosed
WO-2007076260-A2 FARNESOID X RECEPTOR AGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2007-07-05 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-20080167356-A1 FARNESOID X RECEPTOR AGONISTS NR1H4, NR1H3, NR1H2 NR1H4 1/4885LIFR 2399/4885CYP1A2 163/4885
US-20100160398-A1 Farnesoid X Receptor Agonists NR1H4, NR1H3, NR1H2 NR1H4 1/4885LIFR 2399/4885CYP1A2 163/4885

“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.