SCHEMBL12418679

SCHEMBL12418679

CC(C)(C(=O)Nc1nncs1)C(c1ccccc1)c1ccc2c(-c3ccc(C#N)cc3)ncn2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 20/20 1.00
PGR P06401 2/20 0.51
AR P10275 1/20 0.51

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
SCHEMBL12378917 0.92 NR3C1 (1.00) NR3C1PGRAR
SCHEMBL12378916 0.90 NR3C1 (1.00) NR3C1PGRAR
SCHEMBL12417266 0.88 NR3C1 (1.00) NR3C1PGRAR
SCHEMBL12378922 0.88 NR3C1 (0.81) NR3C1PGRAR
SCHEMBL12378923 0.85 NR3C1 (1.00) NR3C1PGRAR
SCHEMBL12378928 0.83 NR3C1 (1.00) NR3C1PGR
SCHEMBL12378925 0.82 NR3C1 (0.73) NR3C1PGRAR
SCHEMBL12378890 0.81 NR3C1 (1.00) NR3C1PGRAR
SCHEMBL2355220 0.80 NR3C1 (1.00) NR3C1PGRAR
SCHEMBL2355016 0.78 NR3C1 (1.00) NR3C1PGRAR

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-7994190-B2 Modulators of glucocorticoid receptor, AP-1, and/or NF-κB activity and use thereof BRISTOL-MYERS SQUIBB COMPANY (US) 2011-08-09 US disclosed
US-20100190820-A1 MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-kB ACTIVITY AND USE THEREOF BRISTOL-MYERS SQUIBB COMPANY 2010-07-29 US disclosed
WO-2008057855-A2 HETEROCYCLIC COMPOUNDS AS MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-I, AND/OR NP-KAPPA-B ACTIVITY BRISTOL-MYERS SQUIBB COMPANY (US) 2008-05-15 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-20100190820-A1 MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-kB ACTIVITY AND USE THEREOF NR0B1, NR3C1, NFRKB NR3C1 2/4885PGR 1258/4885AR 79/4885

“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.