SCHEMBL4428386

SCHEMBL4428386

CCc1onc(Cc2c(Cl)cccc2Cl)c1COc1ccc(COc2cccc(C(=O)O)c2)c(Cl)c1

nearest known ligand 0.72

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ NR1H4 Q96RI1 17/20 0.72
▸ NR4A2 P43354 2/20 0.53
▸ NR4A1 P22736 1/20 0.53
▸ NR4A3 Q92570 1/20 0.53
▸ NPC1 O15118 1/20 0.53
▸ RAB9A P51151 1/20 0.53
▸ LIFR P42702 1/20 0.49
▸ PPARD Q03181 1/20 0.46
▸ GCK P35557 1/20 0.44

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
SCHEMBL4428382 0.80 NR1H4 (0.62) NR1H4LIFR
SCHEMBL4835425 0.79 NR1H4 (0.61) NR1H4LIFR
SCHEMBL4598944 0.76 NR1H4 (0.87) NR1H4LIFRPPARD
SCHEMBL30412532 0.73 NR4A2 (0.74) NR1H4NR4A2NR4A1NR4A3NPC1
SCHEMBL978508 0.73 NR4A2 (0.74) NR1H4NR4A2NR4A1NR4A3NPC1
SCHEMBL5838953 0.71 NR4A2 (1.00) NR4A2NR4A1NR4A3NPC1RAB9A
SCHEMBL4426866 0.70 NR1H4 (0.86) NR1H4LIFRPPARD
SCHEMBL4838231 0.69 NR1H4 (0.85) NR1H4LIFRPPARD
SCHEMBL4831063 0.69 NR1H4 (0.59) NR1H4LIFR
SCHEMBL4950788 0.68 NR1H4 (0.61) NR1H4LIFR

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 18 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-1879860-A2 1,4-DIPHENYL-3-HYDROXYALKYL-2-AZETIDINONE DERIVATIVES FOR TREATING HYPERCHOLESTROLEMIA Microbia Inc. (US) 2008-01-23 — — 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-2006122186-A2 1,4-DIPHENYL-3-HYDROXYALKYL-2-AZETIDINONE DERIVATIVES FOR TREATING HYPERCHOLESTROLEMIA MICROBIA, INC. (US) 2006-11-16 — — WO 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 24/4885NR4A2 1038/4885NR4A1 875/4885
US-20060258725-A1 Farnesoid x receptor agonists NR1H4, GPBAR1, NR1H2 NR1H4 1/4885NR4A2 329/4885NR4A1 187/4885

“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.

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