SCHEMBL2898774

SCHEMBL2898774

COc1ccc([C@H](c2ccccc2)C(C)(C)C(=O)Nc2nncs2)cc1Br

nearest known ligand 0.77

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 20/20 0.77
PGR P06401 3/20 0.67
AR P10275 2/20 0.66

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
SCHEMBL2901558 1.00 NR3C1 (0.77) NR3C1PGRAR
SCHEMBL2901729 0.89 NR3C1 (0.77) NR3C1PGRAR
SCHEMBL2893524 0.89 NR3C1 (0.77) NR3C1PGRAR
SCHEMBL2896413 0.87 NR3C1 (1.00) NR3C1PGRAR
SCHEMBL12592964 0.87 NR3C1 (1.00) NR3C1PGRAR
SCHEMBL12592854 0.85 NR3C1 (0.78) NR3C1PGRAR
SCHEMBL2900186 0.85 NR3C1 (0.78) NR3C1PGRAR
SCHEMBL2901550 0.85 NR3C1 (0.77) NR3C1PGRAR
SCHEMBL12592875 0.85 NR3C1 (0.77) NR3C1PGRAR
SCHEMBL12592892 0.85 NR3C1 (0.77) 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-7968577-B2 Modulators of glucocorticoid receptor, AP-1, and/or NF-κB activity and use thereof BRISTOL-MYERS SQUIBB COMPANY (US) 2011-06-28 US disclosed
US-20100063051-A1 MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-kB ACTIVITY AND USE THEREOF BRISTOL-MYERS SQUIBB COMPANY 2010-03-11 US disclosed
WO-2008057862-A2 MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-ϰB ACTIVITY AND USE THEREOF 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-20100063051-A1 MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-kB ACTIVITY AND USE THEREOF NFRKB, NFKB2, NFKBIA NR3C1 10/4885PGR 2096/4885AR 113/4885

“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.