SCHEMBL4429534

SCHEMBL4429534

COC(=O)c1ccc(S(=O)(=O)Nc2ccc(OCc3c(-c4c(Cl)cccc4Cl)noc3C(C)C)cc2Cl)cc1

nearest known ligand 0.73

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 20/20 0.73
LIFR P42702 4/20 0.57
PPARD Q03181 1/20 0.55
MEN1 O00255 1/20 0.54
FABP1 P07148 1/20 0.54
THRB P10828 1/20 0.54
RECQL P46063 1/20 0.54
BLM P54132 1/20 0.54
KMT2A Q03164 1/20 0.54
HSD17B13 Q7Z5P4 1/20 0.54
VDR P11473 1/20 0.54

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
SCHEMBL4433875 0.94 NR1H4 (0.71) NR1H4LIFRVDR
SCHEMBL4425445 0.93 NR1H4 (0.73) NR1H4LIFRPPARDMEN1FABP1
SCHEMBL4435997 0.93 NR1H4 (0.71) NR1H4LIFRMEN1FABP1THRB
SCHEMBL4831057 0.90 NR1H4 (0.80) NR1H4LIFRPPARD
SCHEMBL4435424 0.87 NR1H4 (0.71) NR1H4LIFRMEN1FABP1THRB
SCHEMBL4598356 0.87 NR1H4 (0.78) NR1H4LIFRPPARDMEN1FABP1
SCHEMBL4433691 0.87 NR1H4 (0.71) NR1H4LIFRMEN1FABP1THRB
SCHEMBL4427073 0.87 NR1H4 (0.69) NR1H4LIFRVDR
SCHEMBL2129745 0.86 NR1H4 (0.64) NR1H4LIFR
SCHEMBL28530824 0.85 NR1H4 (1.00) NR1H4LIFRPPARD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-1879860-A2 1,4-DIPHENYL-3-HYDROXYALKYL-2-AZETIDINONE DERIVATIVES FOR TREATING HYPERCHOLESTROLEMIA Microbia Inc. (US) 2008-01-23 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-2006122186-A2 1,4-DIPHENYL-3-HYDROXYALKYL-2-AZETIDINONE DERIVATIVES FOR TREATING HYPERCHOLESTROLEMIA MICROBIA, INC. (US) 2006-11-16 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 24/4885LIFR 4437/4885PPARD 313/4885
US-20060258725-A1 Farnesoid x receptor agonists NR1H4, GPBAR1, NR1H2 NR1H4 1/4885LIFR 2155/4885PPARD 178/4885

“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.