SCHEMBL2130730

SCHEMBL2130730

CC(C)c1onc(-c2c(Cl)cccc2Cl)c1COC(=O)c1ccc(CN(C)c2ncc(OCc3c(-c4c(Cl)cccc4Cl)noc3C(C)C)cc2Cl)cc1

nearest known ligand 0.85

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ NR1H4 Q96RI1 20/20 0.85
▸ LIFR P42702 2/20 0.58
▸ PPARD Q03181 2/20 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
SCHEMBL2128095 0.93 NR1H4 (0.85) NR1H4LIFR
SCHEMBL2128934 0.92 NR1H4 (1.00) NR1H4LIFRPPARD
SCHEMBL2129017 0.87 NR1H4 (1.00) NR1H4LIFR
SCHEMBL4840354 0.80 NR1H4 (0.73) NR1H4LIFRPPARD
SCHEMBL4831050 0.78 NR1H4 (0.75) NR1H4LIFR
SCHEMBL28529145 0.76 NR1H4 (1.00) NR1H4LIFRPPARD
SCHEMBL2129180 0.76 NR1H4 (0.72) NR1H4LIFR
SCHEMBL28530824 0.76 NR1H4 (1.00) NR1H4LIFRPPARD
SCHEMBL4429503 0.75 NR1H4 (0.72) NR1H4LIFRPPARD
SCHEMBL28524554 0.74 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2084147-B1 HETEROCYCLIC FXR BINDING COMPOUNDS PHENEX PHARMACEUTICALS AG (DE) 2012-04-25 — — EP disclosed
US-20100184809-A1 Heterocyclic FXR Binding Compounds PHENEX PHARMACEUTICALS AG (DE) 2010-07-22 — — US disclosed
EP-2084147-A1 HETEROCYCLIC FXR BINDING COMPOUNDS Phenex Pharmaceuticals AG (DE) 2009-08-05 — — EP disclosed
WO-2008025540-A1 HETEROCYCLIC FXR BINDING COMPOUNDS PHENEX PHARMACEUTICALS AG (DE) 2008-03-06 — — 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-20100184809-A1 Heterocyclic FXR Binding Compounds NR1H4, NR1H2, NR1H3 NR1H4 1/4885LIFR 1535/4885PPARD 37/4885

“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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