SCHEMBL2114712

SCHEMBL2114712

COC(=O)c1cccc2cc(-c3ccc(O)cc3Cl)ccc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 4/20 0.52
ESR2 Q92731 4/20 0.52
SLC6A4 P31645 2/20 0.50
SLC6A3 Q01959 2/20 0.50
SLC6A2 P23975 1/20 0.50
HSD17B1 P14061 3/20 0.48
HSD17B2 P37059 3/20 0.48
TLR8 Q9NR97 1/20 0.43
GSK3B P49841 2/20 0.42
CA12 O43570 2/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA7 P43166 2/20 0.41
CA9 Q16790 2/20 0.41
CA14 Q9ULX7 2/20 0.41
PDK2 Q15119 1/20 0.41
PDK4 Q16654 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41

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
SCHEMBL2113706 0.83 ESR2 (0.55) ESR1ESR2SLC6A4SLC6A3SLC6A2
SCHEMBL30571222 0.83 CA12 (0.54) SLC6A4SLC6A3SLC6A2TLR8CA12
SCHEMBL273978 0.83 CA12 (0.54) SLC6A4SLC6A3SLC6A2TLR8CA12
SCHEMBL29236239 0.79 SLC6A3 (0.68) SLC6A4SLC6A3SLC6A2GSK3BPDK2
SCHEMBL3350681 0.77 SLC6A3 (0.42) SLC6A4SLC6A3SLC6A2HSD17B1HSD17B2
SCHEMBL9125331 0.76 NR4A2 (0.54) SLC6A4SLC6A3SLC6A2KDM4EALDH1A1
SCHEMBL29374722 0.76 NR4A2 (0.54) SLC6A4SLC6A3SLC6A2KDM4EALDH1A1
SCHEMBL497995 0.74 HSD17B1 (0.58) ESR1ESR2HSD17B1HSD17B2CA12
SCHEMBL3338556 0.74 SLC6A3 (0.58) ESR1ESR2SLC6A4SLC6A3SLC6A2
SCHEMBL2114008 0.74 CA12 (0.54) SLC6A4SLC6A3SLC6A2CA12CA1

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 16 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
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 ESR1 362/4885ESR2 246/4885SLC6A4 3039/4885
US-20100160398-A1 Farnesoid X Receptor Agonists NR1H4, NR1H3, NR1H2 ESR1 362/4885ESR2 246/4885SLC6A4 3039/4885

“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.