SCHEMBL4598008

SCHEMBL4598008

COC(=O)c1ccc(CN(C)c2ccc(OCc3c(-c4ccccc4OC(F)(F)F)noc3C(C)C)cc2C)o1

nearest known ligand 0.57

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 19/20 0.57
PPARD Q03181 3/20 0.43
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
HSD17B13 Q7Z5P4 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
SCHEMBL4834610 0.93 NR1H4 (0.61) NR1H4PPARDHSD17B13
SCHEMBL4426894 0.90 NR1H4 (0.59) NR1H4HSD17B13
SCHEMBL4598181 0.88 NR1H4 (0.60) NR1H4PPARDHSD17B13
SCHEMBL4553297 0.86 NR1H4 (0.62) NR1H4HSD17B13
SCHEMBL4433920 0.83 NR1H4 (0.61) NR1H4HSD17B13
SCHEMBL4428769 0.82 NR1H4 (0.55) NR1H4HSD17B13
SCHEMBL4423512 0.79 NR1H4 (0.59) NR1H4PPARDHSD17B13
SCHEMBL4429505 0.78 NR1H4 (0.58) NR1H4HSD17B13
SCHEMBL4425486 0.78 NR1H4 (0.58) NR1H4HSD17B13
SCHEMBL2084449 0.78 NR1H4 (0.57) NR1H4PPARDHSD17B13

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-7319109-B2 Farnesoid X receptor agonists SMITH KLINE BEECHAM CORPORATION (US) 2008-01-15 US claimed
US-20060258725-A1 Farnesoid x receptor agonists SMITHKLINE BEECHAM CORPORATION 2006-11-16 US claimed
US-20080194494-A1 4-Biarylyl-1-Phenylazetidin-2-One Glucuronide Derivatives for Hypercholesterolemia MICROBIA, INC. (US) 2008-08-14 US disclosed
WO-2008039829-A2 DIPHENYLHETEROCYCLE CHOLESTEROL ABSORPTION INHIBITORS IRONWOOD PHARMACEUTICALS, INC. (US) 2008-04-03 WO disclosed
EP-1885694-A2 4-BIARYLYL-1-PHENYLAZETIDIN-2-ONES Microbia, Inc. (US) 2008-02-13 EP disclosed
EP-1877067-A1 4-BIARYLYL-1-PHENYLAZETIDIN-2-ONE GLUCURONIDE DERIVATIVES FOR HYPERCHOLESTEROLEMIA Microbia, Inc. (US) 2008-01-16 EP disclosed
EP-1877373-A2 BIPHENYLAZETIDINONE CHOLESTEROL ABSORPTION INHIBITORS Microbia, Inc. (US) 2008-01-16 EP disclosed
US-7319109-B2 Farnesoid X receptor agonists SMITH KLINE BEECHAM CORPORATION (US) 2008-01-15 US disclosed
US-7319109-B2 Farnesoid X receptor agonists SMITH KLINE BEECHAM CORPORATION (US) 2008-01-15 US disclosed
US-7319109-B2 Farnesoid X receptor agonists SMITH KLINE BEECHAM CORPORATION (US) 2008-01-15 US disclosed
WO-2006124713-A2 4-BIARYLYL-1-PHENYLAZETIDIN-2-ONES MICROBIA, INC. (US) 2006-11-23 WO disclosed
US-20060258725-A1 Farnesoid x receptor agonists SMITHKLINE BEECHAM CORPORATION 2006-11-16 US disclosed
WO-2006121861-A2 BIPHENYLAZETIDINONE CHOLESTEROL ABSORPTION INHIBITORS MICROBIA, INC. (US) 2006-11-16 WO disclosed
WO-2006116499-A1 4-BIARYLYL-1-PHENYLAZETIDIN-2-ONE GLUCURONIDE DERIVATIVES FOR HYPERCHOLESTEROLEMIA MICROBIA, INC. (US) 2006-11-02 WO disclosed
EP-1562915-A1 FARNESOID X RECEPTOR AGONISTS SmithKline Beecham Corporation (US) 2005-08-17 EP disclosed
WO-2004048349-A1 FARNESOID X RECEPTOR AGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2004-06-10 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-20080194494-A1 4-Biarylyl-1-Phenylazetidin-2-One Glucuronide Derivatives for Hypercholesterolemia CYP46A1, CYP7A1, UGT1A1 NR1H4 24/4885PPARD 313/4885NPC1 20/4885
US-20060258725-A1 Farnesoid x receptor agonists NR1H4, GPBAR1, NR1H2 NR1H4 1/4885PPARD 178/4885NPC1 81/4885

“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.