SCHEMBL2129963

SCHEMBL2129963

COc1nc(OCc2c(-c3c(Cl)cccc3Cl)noc2C(C)C)ccc1NS(=O)(=O)c1ccc(C(=O)O)cc1

nearest known ligand 0.62

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 20/20 0.62
LIFR P42702 1/20 0.57

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
SCHEMBL2129431 0.94 NR1H4 (0.63) NR1H4LIFR
SCHEMBL2128864 0.91 NR1H4 (0.67) NR1H4LIFR
SCHEMBL2128786 0.89 NR1H4 (0.78) NR1H4LIFR
SCHEMBL2128604 0.89 NR1H4 (0.80) NR1H4LIFR
SCHEMBL2129745 0.85 NR1H4 (0.64) NR1H4LIFR
SCHEMBL2131102 0.85 NR1H4 (0.67) NR1H4LIFR
SCHEMBL4435997 0.84 NR1H4 (0.71) NR1H4LIFR
SCHEMBL2128448 0.84 NR1H4 (0.69) NR1H4
SCHEMBL4427073 0.83 NR1H4 (0.69) NR1H4LIFR
SCHEMBL2131718 0.83 NR1H4 (0.68) 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 8 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
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
US-20100184809-A1 Heterocyclic FXR Binding Compounds PHENEX PHARMACEUTICALS AG (DE) 2010-07-22 US 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
EP-1894924-A1 Heterocyclic FXR binding compounds Phenex Pharmaceuticals AG (DE) 2008-03-05 EP 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 1535/4885

“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.