SCHEMBL2028869

SCHEMBL2028869

Cc1c(C(=O)Nc2ccc(S(C)(=O)=O)cc2)cn(C)c1-c1cccc(C#N)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR3C2 P08235 2/20 0.47
SIRT2 Q8IXJ6 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
P2RY2 P41231 1/20 0.44
GPR17 Q13304 1/20 0.44
GPR27 Q9NS67 3/20 0.44
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42
AVPR2 P30518 2/20 0.42
HTT P42858 1/20 0.40
PDE4B Q07343 1/20 0.40
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP2C19 P33261 1/20 0.39
PPARG P37231 1/20 0.39
KMT2A Q03164 1/20 0.39
NCOA2 Q15596 1/20 0.39

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
SCHEMBL2027864 0.84 SMN1; SMN2 (0.49) NR3C2L3MBTL1GPR27SMN1; SMN2MAOA
SCHEMBL1380450 0.83 SMN1; SMN2 (0.48) NR3C2SIRT2GPR27SMN1; SMN2MAOA
SCHEMBL1380299 0.82 SMN1; SMN2 (0.47) NR3C2GPR27CA1CA2SMN1; SMN2
SCHEMBL1380887 0.80 NR3C2 (0.52) NR3C2GPR27CA1CA2SMN1; SMN2
SCHEMBL2027710 0.78 NR3C2 (0.43) NR3C2SIRT2GPR27CA1CA2
SCHEMBL2027712 0.78 NR3C2 (0.43) NR3C2SIRT2GPR27CA1CA2
SCHEMBL4639232 0.78 XDH (0.52) HTTPTPN11
SCHEMBL2439013 0.78 NR3C2 (0.59) NR3C2GPR27SMN1; SMN2MAOAMAOB
SCHEMBL1382871 0.78 NR3C2 (0.53) NR3C2GPR27AVPR2MEN1KMT2A
SCHEMBL2028615 0.78 NR3C2 (0.52) NR3C2GPR27SMN1; SMN2MAOAMAOB

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 2 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-20110144128-A1 Heterocyclic Carboxamide Compounds as Steroid Nuclear Receptors Ligands EXELIXIS, INC. (US) 2011-06-16 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-20110144128-A1 Heterocyclic Carboxamide Compounds as Steroid Nuclear Receptors Ligands NCOA1, NCOA2, NCOA3 NR3C2 10/4885SIRT2 223/4885L3MBTL1 4870/4885

“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.