SCHEMBL1161561

SCHEMBL1161561

C=CCOc1ccc(CN(Cc2ccc(C#N)cc2)c2cccc(N(S(C)(=O)=O)S(C)(=O)=O)c2C)cc1

nearest known ligand 0.60

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 19/20 0.60
PGR P06401 2/20 0.40
NR3C2 P08235 2/20 0.40
AR P10275 2/20 0.40
ACHE P22303 1/20 0.36
MAOB P27338 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
SCHEMBL1161756 0.85 NR3C1 (0.82) NR3C1PGRNR3C2AR
SCHEMBL1162030 0.82 NR3C1 (0.48) NR3C1PGRNR3C2AR
SCHEMBL1161732 0.82 NR3C1 (0.62) NR3C1PGRNR3C2AR
SCHEMBL12006040 0.80 NR3C1 (0.46) NR3C1PGRNR3C2AR
SCHEMBL1162130 0.79 NR3C1 (0.49) NR3C1PGRNR3C2AR
SCHEMBL3965833 0.76 NR3C1 (0.65) NR3C1PGRNR3C2AR
SCHEMBL1161403 0.76 NR3C1 (0.46) NR3C1PGRNR3C2ARACHE
SCHEMBL3964594 0.75 NR3C1 (1.00) NR3C1PGRNR3C2AR
SCHEMBL1162132 0.71 NR3C1 (0.43) NR3C1PGRNR3C2AR
SCHEMBL3968196 0.70 NR3C1 (0.63) NR3C1PGRNR3C2AR

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120220590-A1 NOVEL COMPOUNDS AS MODULATORS OF GLUCOCORTICOID RECEPTORS KAROBIOAB (SE) 2012-08-30 US disclosed
EP-2459524-A2 NOVEL COMPOUNDS AS MODULATORS OF GLUCOCORTICOID RECEPTORS Cadila Healthcare Limited (IN) 2012-06-06 EP disclosed
WO-2011016050-A2 NOVEL COMPOUNDS AS MODULATORS OF GLUCOCORTICOID RECEPTORS CADILA HEALTHCARE LIMITED (IN) 2011-02-10 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-20120220590-A1 NOVEL COMPOUNDS AS MODULATORS OF GLUCOCORTICOID RECEPTORS NR3C1, NR3C2, MC2R NR3C1 1/4885PGR 103/4885NR3C2 2/4885

“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.