SCHEMBL1179604

SCHEMBL1179604

COC(=O)c1c(-c2ccccc2OC(F)(F)F)noc1C(C)C

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 9/20 0.53
ALDH1A1 P00352 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
KDM4E B2RXH2 1/20 0.43
GPBAR1 Q8TDU6 3/20 0.41
DPP4 P27487 1/20 0.41
DPP7 Q9UHL4 1/20 0.41
LMNA P02545 1/20 0.41
PTGS1 P23219 1/20 0.41
HSD17B13 Q7Z5P4 1/20 0.40
EPAS1 Q99814 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
SCHEMBL13734803 0.86 LMNA (0.57) NR1H4ALDH1A1L3MBTL1KDM4EGPBAR1
SCHEMBL13734491 0.85 GPBAR1 (0.52) ALDH1A1L3MBTL1KDM4EGPBAR1LMNA
SCHEMBL3637232 0.80 GPBAR1 (0.43) NR1H4ALDH1A1L3MBTL1KDM4EGPBAR1
SCHEMBL29556452 0.80 NR1H4 (0.55) NR1H4HSD17B13
SCHEMBL1095858 0.80 NR1H4 (0.55) NR1H4HSD17B13
SCHEMBL20094463 0.78 NR1H4 (0.51) NR1H4ALDH1A1L3MBTL1DPP4DPP7
SCHEMBL1097119 0.78 NR1H4 (0.61) NR1H4HSD17B13
SCHEMBL1096100 0.75 NR1H4 (0.58) NR1H4HSD17B13
SCHEMBL13733937 0.75 NR1H4 (0.46) NR1H4ALDH1A1L3MBTL1DPP4DPP7
SCHEMBL13732616 0.75 GPBAR1 (0.51) NR1H4ALDH1A1L3MBTL1GPBAR1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110034507-A1 FARNESOID X RECEPTOR AGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2011-02-10 US disclosed
US-20110034507-A1 FARNESOID X RECEPTOR AGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2011-02-10 US disclosed
US-20110034507-A1 FARNESOID X RECEPTOR AGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2011-02-10 US disclosed
EP-2173174-A1 FARNESOID X RECEPTOR AGONISTS GlaxoSmithKline LLC (US) 2010-04-14 EP disclosed
WO-2009005998-A1 FARNESOID X RECEPTOR AGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2009-01-08 WO disclosed
WO-2009005998-A1 FARNESOID X RECEPTOR AGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2009-01-08 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-20110034507-A1 FARNESOID X RECEPTOR AGONISTS NR1H4, NR1H3, NR1H2 NR1H4 1/4885ALDH1A1 2656/4885L3MBTL1 4135/4885

“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.