SCHEMBL2438460

SCHEMBL2438460

Cc1c(C(=O)Nc2ccc(S(C)(=O)=O)cc2)cn(CCCN(C)C)c1-c1ccc(F)cc1OCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NR3C2 P08235 3/20 0.50
CCNT1 O60563 3/20 0.42
CDK2 P24941 3/20 0.42
CDK9 P50750 3/20 0.42
CCNA2 P20248 2/20 0.42
CCNA1 P78396 2/20 0.42
GPBAR1 Q8TDU6 1/20 0.41
CYP19A1 P11511 3/20 0.40
GAA P10253 1/20 0.39
LRRK2 Q5S007 2/20 0.39
SGMS2 Q8NHU3 1/20 0.38
CCNE1 P24864 1/20 0.38
LTA4H P09960 1/20 0.38
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
PTGER1 P34995 1/20 0.38
BRD4 O60885 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
SCHEMBL2441367 0.96 NR3C2 (0.51) NR3C2CCNT1CDK2CDK9CCNA2
SCHEMBL2439117 0.87 NR3C2 (0.50) NR3C2
SCHEMBL1380836 0.86 NR3C2 (0.49) NR3C2LRRK2
SCHEMBL1381928 0.83 NR3C2 (0.55) NR3C2GAALTA4HBRD4
SCHEMBL1381016 0.83 NR3C2 (0.64) NR3C2
SCHEMBL1382353 0.81 NR3C2 (0.49) NR3C2CYP19A1GAALRRK2SGMS2
SCHEMBL1381640 0.80 NR3C2 (0.61) NR3C2
SCHEMBL1386073 0.79 NR3C2 (0.53) NR3C2GAALRRK2SGMS2PTGER1
SCHEMBL4639630 0.79 PTGER1 (0.43) CCNT1CDK2CDK9CCNA2CCNA1
SCHEMBL1382032 0.79 NR3C2 (0.59) NR3C2GAA

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 119/4885CCNT1 4424/4885CDK2 2120/4885

“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.