SCHEMBL2473379

SCHEMBL2473379

Cc1c(C(=O)Nc2ccc(S(C)(=O)=O)cc2)cn(Cc2cccc(F)n2)c1-c1ccccc1C(F)(F)F

nearest known ligand 0.72

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NR3C2 P08235 5/20 0.72
PDE7A Q13946 2/20 0.41
PDE4A P27815 1/20 0.39
KIF11 P52732 2/20 0.37
CYP2C9 P11712 1/20 0.36
PTGS2 P35354 2/20 0.36
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
PTPRC P08575 1/20 0.36
PTGES O14684 1/20 0.36
NR3C1 P04150 2/20 0.35
AVPR2 P30518 1/20 0.35
GPR27 Q9NS67 1/20 0.35
GRM4 Q14833 1/20 0.35

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
SCHEMBL1383130 0.92 NR3C2 (0.70) NR3C2PDE7APDE4AKIF11CYP2C9
SCHEMBL1380607 0.89 NR3C2 (0.73) NR3C2PDE7APDE4ANR3C1
SCHEMBL2438998 0.85 NR3C2 (0.71) NR3C2PDE7APDE4APTGS2
SCHEMBL17646149 0.84 NR3C2 (0.81) NR3C2PDE7APDE4AMAOAMAOB
SCHEMBL1381714 0.84 NR3C2 (1.00) NR3C2PDE7APDE4AMAOAMAOB
SCHEMBL29571805 0.84 NR3C2 (1.00) NR3C2PDE7APDE4AMAOAMAOB
SCHEMBL1380175 0.83 NR3C2 (0.71) NR3C2NR3C1
SCHEMBL1381434 0.83 NR3C2 (0.79) NR3C2PDE7APDE4AKIF11CYP2C9
SCHEMBL1383565 0.83 NR3C2 (0.79) NR3C2PDE7APDE4AMAOAMAOB
SCHEMBL1381095 0.83 NR3C2 (0.73) NR3C2PDE7APDE4AMAOAMAOB

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 6 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 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-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 (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-20080234270-A1 Pyrrole Derivatives As Pharmaceutical Agents PRLHR, PTGDR, TACR1 NR3C2 119/4885PDE7A 258/4885PDE4A 383/4885

“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.