SCHEMBL12296602

SCHEMBL12296602

Cc1c(C(=O)Nc2ccc(S(C)(=O)=O)cc2)cn(C[C@@H](O)OCc2ccc(F)cc2)c1-c1ccccc1C(F)(F)F

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NR3C2 P08235 7/20 0.67
PDE7A Q13946 2/20 0.37
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
ELANE P08246 2/20 0.36
PDE4A P27815 1/20 0.35
PTPRC P08575 1/20 0.35
PTGS2 P35354 2/20 0.35
RORC P51449 2/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL1384476 0.86 NR3C2 (0.66) NR3C2PDE7ALMNAMAPTTDP1
SCHEMBL1380184 0.86 NR3C2 (0.66) NR3C2PDE7ALMNAMAPTTDP1
SCHEMBL2441389 0.83 NR3C2 (0.72) NR3C2PDE7ALMNAMAPTTDP1
SCHEMBL1382292 0.83 NR3C2 (0.72) NR3C2PDE7ALMNAMAPTTDP1
SCHEMBL27159458 0.81 NR3C2 (0.76) NR3C2PDE7ALMNAMAPTTDP1
SCHEMBL17646149 0.81 NR3C2 (0.81) NR3C2PDE7ALMNAMAPTTDP1
SCHEMBL29571805 0.80 NR3C2 (1.00) NR3C2PDE7ALMNAMAPTTDP1
SCHEMBL1381714 0.80 NR3C2 (1.00) NR3C2PDE7ALMNAMAPTTDP1
SCHEMBL1381434 0.80 NR3C2 (0.79) NR3C2PDE7ALMNAMAPTTDP1
SCHEMBL1383565 0.80 NR3C2 (0.79) NR3C2PDE7ALMNAMAPTTDP1

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 4 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-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 258/4885LMNA 4213/4885

“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.