SCHEMBL2024974

SCHEMBL2024974

COc1ccc(C)cc1-c1ccc(-n2c(C)cc(C(=O)Nc3ccc(S(C)(=O)=O)cc3)c2C)c(C(F)(F)F)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR3C2 P08235 7/20 0.55
ALDH1A1 P00352 4/20 0.41
LMNA P02545 3/20 0.41
HPGD P15428 2/20 0.41
RAB9A P51151 2/20 0.41
POLB P06746 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 4/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
TP53 P04637 3/20 0.40
HTT P42858 1/20 0.40
AVPR2 P30518 1/20 0.39
GPR27 Q9NS67 1/20 0.39
KDM4E B2RXH2 1/20 0.39
THRB P10828 3/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
USP28 Q96RU2 1/20 0.36
STIM1 Q13586 1/20 0.36
ORAI1 Q96D31 1/20 0.36

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
SCHEMBL1382605 0.89 NR3C2 (0.56) NR3C2AVPR2GPR27
SCHEMBL2023440 0.85 NR3C2 (0.53) NR3C2ALDH1A1HPGDPOLBMAPT
SCHEMBL1381585 0.84 NR3C2 (0.55) NR3C2ALDH1A1LMNAHPGDRAB9A
SCHEMBL1383074 0.83 NR3C2 (0.57) NR3C2ALDH1A1LMNAHPGDRAB9A
SCHEMBL2028835 0.83 NR3C2 (0.59) NR3C2ALDH1A1LMNAHPGDRAB9A
SCHEMBL2048793 0.83 NR3C2 (0.61) NR3C2ALDH1A1LMNAHPGDRAB9A
SCHEMBL2026807 0.83 NR3C2 (0.59) NR3C2ALDH1A1LMNAHPGDRAB9A
SCHEMBL1380916 0.83 NR3C2 (0.53) NR3C2ALDH1A1LMNAHPGDRAB9A
SCHEMBL4894983 0.82 ALDH1A1 (0.51) ALDH1A1HPGD
SCHEMBL1378097 0.81 NR3C2 (0.57) NR3C2ALDH1A1LMNAHPGDRAB9A

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 119/4885ALDH1A1 2251/4885LMNA 4213/4885
US-20110144128-A1 Heterocyclic Carboxamide Compounds as Steroid Nuclear Receptors Ligands NCOA1, NCOA2, NCOA3 NR3C2 10/4885ALDH1A1 1665/4885LMNA 2007/4885

“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.