SCHEMBL1381035

SCHEMBL1381035

Cc1c(C(=O)Nc2ccc(S(C)(=O)=O)cc2)cn(CCN2CCCCC2)c1-c1ccccc1Oc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NR3C2 P08235 1/20 0.55
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
JAK2 O60674 1/20 0.41
JAK3 P52333 1/20 0.41
PTK2 Q05397 1/20 0.41
PTGS2 P35354 1/20 0.41
MCHR1 Q99705 6/20 0.41
ALDH1A1 P00352 2/20 0.41
POLB P06746 1/20 0.41
MCHR2 Q969V1 1/20 0.41
CNR1 P21554 1/20 0.40
GLA P06280 1/20 0.39
FAAH O00519 1/20 0.39
GAA P10253 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HRH3 Q9Y5N1 2/20 0.39
KCNH2 Q12809 1/20 0.39

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
SCHEMBL1381755 0.99 NR3C2 (0.55) NR3C2MEN1KMT2AJAK2JAK3
SCHEMBL1383546 0.93 NR3C2 (0.56) NR3C2KMT2APTGS2MCHR1ALDH1A1
SCHEMBL2439983 0.91 NR3C2 (0.57) NR3C2MEN1KMT2AALDH1A1POLB
SCHEMBL1382944 0.90 NR3C2 (0.58) NR3C2MEN1KMT2AALDH1A1POLB
SCHEMBL1381366 0.88 NR3C2 (0.69) NR3C2MEN1KMT2APTGS2ALDH1A1
SCHEMBL1383720 0.87 NR3C2 (0.60) NR3C2MEN1KMT2AALDH1A1POLB
SCHEMBL1384199 0.87 NR3C2 (0.62) NR3C2JAK2JAK3PTK2PTGS2
SCHEMBL1380260 0.86 NR3C2 (0.61) NR3C2MEN1KMT2AALDH1A1POLB
SCHEMBL1378585 0.86 NR3C2 (0.59) NR3C2MEN1KMT2AALDH1A1GAA
SCHEMBL2436034 0.85 NR3C2 (0.59) NR3C2MEN1KMT2AALDH1A1POLB

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 119/4885MEN1 4434/4885KMT2A 4657/4885

“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.