SCHEMBL1382353

SCHEMBL1382353

Cc1c(C(=O)Nc2ccc(S(C)(=O)=O)cc2)cn(C)c1-c1cc(F)ccc1OCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NR3C2 P08235 3/20 0.49
LRRK2 Q5S007 4/20 0.46
PTGER1 P34995 6/20 0.45
GAA P10253 1/20 0.45
SGMS2 Q8NHU3 1/20 0.44
BRD4 O60885 1/20 0.42
CYP19A1 P11511 1/20 0.42
MAPT P10636 1/20 0.42

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
SCHEMBL1386073 0.91 NR3C2 (0.53) NR3C2LRRK2PTGER1GAASGMS2
SCHEMBL2437481 0.83 NR3C2 (0.48) NR3C2MAPT
SCHEMBL2441367 0.83 NR3C2 (0.51) NR3C2LRRK2PTGER1GAASGMS2
SCHEMBL1380136 0.82 KMT2A (0.48) NR3C2MAPT
SCHEMBL4638882 0.81 PTGER1 (0.53) PTGER1MAPT
SCHEMBL2439117 0.81 NR3C2 (0.50) NR3C2MAPT
SCHEMBL2438460 0.81 NR3C2 (0.50) NR3C2LRRK2PTGER1GAASGMS2
SCHEMBL1380836 0.81 NR3C2 (0.49) NR3C2LRRK2MAPT
SCHEMBL1381613 0.80 NR3C2 (0.59) NR3C2GAABRD4MAPT
SCHEMBL1381488 0.79 NR3C2 (0.53) NR3C2MAPT

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-8026237-B2 For modulating activity of one or more steroid nuclear receptors and for treatment, prevention, or amelioration of symptoms of disease or disorder related to the activity of receptors; 5-benzo[b]thiophen-2-yl-1,4-dimethyl-1H-pyrrole-3-carboxylic acid (4-methanesulfonyl-phenyl)-amide EXELIXIS, INC. (US) 2011-09-27 US claimed
JP-4703649-B2 2011-06-15 JP claimed
EP-1773768-A4 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS EXELIXIS INC (US) 2008-08-06 EP claimed
EP-1773768-A2 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS Exelixis, Inc. (US) 2007-04-18 EP claimed
WO-2006012642-A2 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS EXELIXIS, INC. (US) 2006-02-02 WO claimed
US-8026237-B2 For modulating activity of one or more steroid nuclear receptors and for treatment, prevention, or amelioration of symptoms of disease or disorder related to the activity of receptors; 5-benzo[b]thiophen-2-yl-1,4-dimethyl-1H-pyrrole-3-carboxylic acid (4-methanesulfonyl-phenyl)-amide EXELIXIS, INC. (US) 2011-09-27 US disclosed
US-8026237-B2 For modulating activity of one or more steroid nuclear receptors and for treatment, prevention, or amelioration of symptoms of disease or disorder related to the activity of receptors; 5-benzo[b]thiophen-2-yl-1,4-dimethyl-1H-pyrrole-3-carboxylic acid (4-methanesulfonyl-phenyl)-amide EXELIXIS, INC. (US) 2011-09-27 US disclosed
US-8026237-B2 For modulating activity of one or more steroid nuclear receptors and for treatment, prevention, or amelioration of symptoms of disease or disorder related to the activity of receptors; 5-benzo[b]thiophen-2-yl-1,4-dimethyl-1H-pyrrole-3-carboxylic acid (4-methanesulfonyl-phenyl)-amide EXELIXIS, INC. (US) 2011-09-27 US disclosed
US-20110144128-A1 Heterocyclic Carboxamide Compounds as Steroid Nuclear Receptors Ligands EXELIXIS, INC. (US) 2011-06-16 US disclosed
US-20080234270-A1 Pyrrole Derivatives As Pharmaceutical Agents EXELIXIS, INC. (US) 2008-09-25 US disclosed
US-20080234270-A1 Pyrrole Derivatives As Pharmaceutical Agents EXELIXIS, INC. (US) 2008-09-25 US disclosed
US-20080234270-A1 Pyrrole Derivatives As Pharmaceutical Agents EXELIXIS, INC. (US) 2008-09-25 US 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-20080234270-A1 Pyrrole Derivatives As Pharmaceutical Agents PRLHR, PTGDR, TACR1 NR3C2 119/4885LRRK2 1253/4885PTGER1 82/4885
US-20110144128-A1 Heterocyclic Carboxamide Compounds as Steroid Nuclear Receptors Ligands NCOA1, NCOA2, NCOA3 NR3C2 10/4885LRRK2 4840/4885PTGER1 212/4885

“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.