SCHEMBL1380541

SCHEMBL1380541

Cc1cc(C(=O)Nc2ccc(S(C)(=O)=O)cc2)c(C)n1-c1ccccc1-c1cc(Cl)ccc1Cl

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR27 Q9NS67 8/20 0.55
AVPR2 P30518 2/20 0.55
MAPT P10636 2/20 0.55
MAPK1 P28482 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
NR3C2 P08235 3/20 0.53
USP28 Q96RU2 2/20 0.51
ALDH1A1 P00352 3/20 0.47
LMNA P02545 3/20 0.47
POLB P06746 1/20 0.47
TP53 P04637 1/20 0.47
HPGD P15428 1/20 0.47
HTT P42858 1/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
GAA P10253 1/20 0.46
ALB P02768 1/20 0.45
HTR1A P08908 1/20 0.45
SLC6A2 P23975 1/20 0.45
PDE4A P27815 1/20 0.45

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
SCHEMBL1383172 0.93 MAPT (0.53) GPR27AVPR2MAPTMAPK1NPSR1
SCHEMBL1382285 0.89 MAPT (0.59) GPR27AVPR2MAPTMAPK1NPSR1
SCHEMBL2029241 0.89 MAPT (0.50) GPR27AVPR2MAPTMAPK1NPSR1
SCHEMBL1379722 0.88 NR3C2 (0.52) GPR27AVPR2MAPTMAPK1NPSR1
SCHEMBL2439938 0.87 NOTUM (0.57) GPR27AVPR2MAPTMAPK1NPSR1
SCHEMBL1382456 0.86 MAPT (0.50) GPR27AVPR2MAPTMAPK1NPSR1
SCHEMBL2027912 0.86 NR3C2 (0.53) GPR27AVPR2MAPTMAPK1NPSR1
SCHEMBL2027689 0.85 NR3C2 (0.49) GPR27AVPR2MAPTMAPK1NPSR1
SCHEMBL1383695 0.83 MAPT (0.47) GPR27AVPR2MAPTMAPK1NPSR1
SCHEMBL1380669 0.83 NOTUM (0.59) GPR27AVPR2MAPTMAPK1NPSR1

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
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-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 GPR27 169/4885AVPR2 60/4885MAPT 2014/4885
US-20110144128-A1 Heterocyclic Carboxamide Compounds as Steroid Nuclear Receptors Ligands NCOA1, NCOA2, NCOA3 GPR27 144/4885AVPR2 634/4885MAPT 4352/4885

“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.