SCHEMBL1381640

SCHEMBL1381640

Cc1ccccc1-c1c(C)c(C(=O)Nc2ccc(S(C)(=O)=O)cc2)cn1CCCN(C)C

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NR3C2 P08235 2/20 0.61
TOP2B Q02880 2/20 0.41
PDE7A Q13946 2/20 0.39
AVPR2 P30518 2/20 0.38
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
SIRT2 Q8IXJ6 2/20 0.38
GPR27 Q9NS67 1/20 0.37
PDE4A P27815 1/20 0.37
TRPV4 Q9HBA0 1/20 0.37
NR3C1 P04150 1/20 0.36
DDX3X O00571 1/20 0.36
ALDH1A1 P00352 1/20 0.36
SMO Q99835 1/20 0.36
KDM4E B2RXH2 1/20 0.36

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
SCHEMBL1382032 0.91 NR3C2 (0.59) NR3C2TOP2BPDE7AAVPR2GPR27
SCHEMBL14066733 0.89 NR3C2 (0.68) NR3C2PDE7AAVPR2MAOAMAOB
SCHEMBL1383401 0.88 NR3C2 (0.78) NR3C2PDE7AAVPR2MAOAMAOB
SCHEMBL1381928 0.87 NR3C2 (0.55) NR3C2TOP2BAVPR2ALDH1A1
SCHEMBL1384601 0.87 NR3C2 (0.61) NR3C2PDE7AAVPR2MAOAMAOB
SCHEMBL1380260 0.83 NR3C2 (0.61) NR3C2PDE7AALDH1A1
SCHEMBL2439013 0.83 NR3C2 (0.59) NR3C2AVPR2MAOAMAOBGPR27
SCHEMBL1383720 0.83 NR3C2 (0.60) NR3C2ALDH1A1
SCHEMBL1379442 0.82 NR3C2 (0.62) NR3C2PDE7AAVPR2TRPV4ALDH1A1
SCHEMBL1381016 0.81 NR3C2 (0.64) NR3C2TOP2BPDE7AAVPR2GPR27

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
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
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 119/4885TOP2B 4606/4885PDE7A 258/4885

“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.