SCHEMBL2439983

SCHEMBL2439983

COc1ccccc1-c1c(C)c(C(=O)Nc2ccc(S(C)(=O)=O)cc2)cn1CCN1CCCCC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR3C2 P08235 1/20 0.57
KMT2A Q03164 4/20 0.50
MEN1 O00255 3/20 0.50
ALDH1A1 P00352 5/20 0.48
POLB P06746 1/20 0.48
HTR3A P46098 1/20 0.46
MAPT P10636 5/20 0.44
RAB9A P51151 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
NPC1 O15118 1/20 0.44
AHR P35869 1/20 0.44
GFER P55789 1/20 0.44
LMNA P02545 3/20 0.42
HPGD P15428 2/20 0.42
TSHR P16473 1/20 0.42
MAPK1 P28482 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
KDM4E B2RXH2 1/20 0.42
TP53 P04637 1/20 0.41
HSD17B10 Q99714 1/20 0.41

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
SCHEMBL1382944 0.99 NR3C2 (0.58) NR3C2KMT2AMEN1ALDH1A1POLB
SCHEMBL1382373 0.92 NR3C2 (0.58) NR3C2KMT2AMEN1ALDH1A1POLB
SCHEMBL1381035 0.91 NR3C2 (0.55) NR3C2KMT2AMEN1ALDH1A1POLB
SCHEMBL1381755 0.90 NR3C2 (0.55) NR3C2KMT2AMEN1ALDH1A1POLB
SCHEMBL1383720 0.90 NR3C2 (0.60) NR3C2KMT2AMEN1ALDH1A1POLB
SCHEMBL1380260 0.89 NR3C2 (0.61) NR3C2KMT2AMEN1ALDH1A1POLB
SCHEMBL1378585 0.88 NR3C2 (0.59) NR3C2KMT2AMEN1ALDH1A1MAPT
SCHEMBL2436034 0.87 NR3C2 (0.59) NR3C2KMT2AMEN1ALDH1A1POLB
SCHEMBL1384199 0.87 NR3C2 (0.62) NR3C2ALDH1A1MAPTRAB9AMAPK1
SCHEMBL2438538 0.86 NR3C2 (0.78) NR3C2KMT2AMEN1MAPTRAB9A

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 119/4885KMT2A 4657/4885MEN1 4434/4885

“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.