SCHEMBL4596831

SCHEMBL4596831

Cc1cc(OCc2c(Cc3c(Cl)cccc3Cl)noc2C2CC2)ccc1N(C)Cc1cccc(C(=O)O)c1

nearest known ligand 0.58

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ NR1H4 Q96RI1 19/20 0.58
▸ HSD17B13 Q7Z5P4 1/20 0.51
▸ MRGPRX4 Q96LA9 1/20 0.48

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 0.87 NR1H4 (0.62) NR1H4MRGPRX4
SCHEMBL4831063 0.87 NR1H4 (0.59) NR1H4
SCHEMBL4424738 0.81 NR1H4 (0.57) NR1H4
SCHEMBL4421519 0.77 NR1H4 (0.75) NR1H4HSD17B13
SCHEMBL4835425 0.75 NR1H4 (0.61) NR1H4MRGPRX4
SCHEMBL4840444 0.75 NR1H4 (0.69) NR1H4
SCHEMBL4283477 0.73 NR1H4 (1.00) NR1H4
SCHEMBL2772150 0.72 MRGPRX4 (0.52) NR1H4MRGPRX4
SCHEMBL2773814 0.72 MRGPRX4 (0.50) NR1H4MRGPRX4
SCHEMBL2775206 0.71 MRGPRX4 (0.48) NR1H4MRGPRX4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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-20060258725-A1 Farnesoid x receptor agonists NR1H4, GPBAR1, NR1H2 NR1H4 1/4885HSD17B13 147/4885MRGPRX4 64/4885

“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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