SCHEMBL2114792

SCHEMBL2114792

COC(=O)c1c(Cc2c(Cl)cccc2Cl)noc1C(C)C

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 15/20 0.51
POLB P06746 2/20 0.46
ALDH1A1 P00352 1/20 0.45
GAA P10253 1/20 0.45
GHSR Q92847 1/20 0.43
LMNA P02545 1/20 0.41
LIFR P42702 1/20 0.40
PPARD Q03181 1/20 0.40

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
SCHEMBL2113921 0.89 NR1H4 (0.53) NR1H4POLBALDH1A1GAAGHSR
SCHEMBL2007489 0.82 NR1H4 (0.47) NR1H4POLBALDH1A1GAAGHSR
SCHEMBL4951120 0.80 POLB (0.45) NR1H4POLBALDH1A1GAAGHSR
SCHEMBL3999218 0.79 POLB (0.70) NR1H4POLBALDH1A1GAAGHSR
SCHEMBL2001515 0.77 LMNA (0.48) NR1H4ALDH1A1GAALMNA
SCHEMBL2112933 0.77 NR1H4 (0.49) NR1H4LMNALIFRPPARD
SCHEMBL2002126 0.76 NR1H4 (0.44) NR1H4GAALMNA
SCHEMBL2000996 0.74 LMNA (0.46) NR1H4POLBALDH1A1GAALMNA
SCHEMBL1179047 0.71 LMNA (0.43) NR1H4ALDH1A1GAALMNA
SCHEMBL4946160 0.70 POLB (0.45) NR1H4POLBALDH1A1GAAGHSR

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
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-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
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 1/4885POLB 4726/4885ALDH1A1 2326/4885
US-20100160398-A1 Farnesoid X Receptor Agonists NR1H4, NR1H3, NR1H2 NR1H4 1/4885POLB 4726/4885ALDH1A1 2326/4885

“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.