SCHEMBL2026028

SCHEMBL2026028

CCc1ccc(-c2ccc(-n3c(C)cc(C(=O)Nc4ccc(S(C)(=O)=O)cc4)c3C)c(C(F)(F)F)c2)cc1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NR3C2 P08235 7/20 0.58
TP53 P04637 5/20 0.41
ELANE P08246 1/20 0.41
FFAR4 Q5NUL3 1/20 0.39
ALDH1A1 P00352 3/20 0.39
HPGD P15428 3/20 0.39
MAPT P10636 3/20 0.39
HTT P42858 2/20 0.39
LMNA P02545 2/20 0.39
RAB9A P51151 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
KMT2A Q03164 1/20 0.39
KIF11 P52732 1/20 0.38
POLB P06746 1/20 0.38
GAA P10253 1/20 0.38
MAPK1 P28482 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL1378307 0.93 NR3C2 (0.61) NR3C2TP53ELANEALDH1A1HPGD
SCHEMBL1382525 0.92 NR3C2 (0.57) NR3C2TP53ELANEALDH1A1HPGD
SCHEMBL2026807 0.90 NR3C2 (0.59) NR3C2TP53ALDH1A1HPGDMAPT
SCHEMBL2048793 0.90 NR3C2 (0.61) NR3C2TP53ALDH1A1HPGDMAPT
SCHEMBL2028835 0.88 NR3C2 (0.59) NR3C2TP53ALDH1A1HPGDMAPT
SCHEMBL1383732 0.88 NR3C2 (0.56) NR3C2TP53ALDH1A1HPGDMAPT
SCHEMBL1380356 0.88 NR3C2 (0.56) NR3C2TP53ALDH1A1HPGDMAPT
SCHEMBL2030351 0.86 NR3C2 (0.55) NR3C2TP53ELANEALDH1A1HPGD
SCHEMBL1381274 0.86 NR3C2 (0.56) NR3C2TP53ALDH1A1HPGDMAPT
SCHEMBL1380387 0.86 NR3C2 (0.56) NR3C2TP53ALDH1A1HPGDMAPT

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 7 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-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 NR3C2 119/4885TP53 3574/4885ELANE 3072/4885
US-20110144128-A1 Heterocyclic Carboxamide Compounds as Steroid Nuclear Receptors Ligands NCOA1, NCOA2, NCOA3 NR3C2 10/4885TP53 4384/4885ELANE 3603/4885

“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.