SCHEMBL1382871

SCHEMBL1382871

Cc1c(C(=O)Nc2ccc(S(C)(=O)=O)cc2)cn(C)c1-c1ccc(F)cc1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NR3C2 P08235 3/20 0.53
PTGS2 P35354 6/20 0.49
CXCR2 P25025 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
GRM5 P41594 1/20 0.45
AVPR2 P30518 1/20 0.44
GPR27 Q9NS67 1/20 0.44
FAAH O00519 2/20 0.44
MGLL Q99685 2/20 0.44
TP53 P04637 1/20 0.43

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
SCHEMBL2026896 0.88 NR3C2 (0.56) NR3C2PTGS2AVPR2GPR27TP53
SCHEMBL1381613 0.87 NR3C2 (0.59) NR3C2PTGS2MEN1KMT2AAVPR2
SCHEMBL1379381 0.84 NR3C2 (0.60) NR3C2PTGS2MEN1KMT2AAVPR2
SCHEMBL1381352 0.83 NR3C2 (0.76) NR3C2AVPR2GPR27
SCHEMBL2028425 0.83 NR3C2 (0.48) NR3C2PTGS2MEN1KMT2AAVPR2
SCHEMBL1381980 0.82 NR3C2 (0.55) NR3C2MEN1KMT2AAVPR2GPR27
SCHEMBL2439013 0.81 NR3C2 (0.59) NR3C2PTGS2MEN1KMT2AAVPR2
SCHEMBL2028615 0.81 NR3C2 (0.52) NR3C2PTGS2MEN1KMT2AAVPR2
SCHEMBL1380887 0.81 NR3C2 (0.52) NR3C2PTGS2MEN1KMT2AAVPR2
SCHEMBL2026933 0.81 NR3C2 (0.45) NR3C2MEN1KMT2AAVPR2GPR27

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 5 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-20080234270-A1 Pyrrole Derivatives As Pharmaceutical Agents EXELIXIS, INC. (US) 2008-09-25 US disclosed
WO-2006012642-A2 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS EXELIXIS, INC. (US) 2006-02-02 WO 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 119/4885PTGS2 275/4885CXCR2 1153/4885

“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.