SCHEMBL1142123

SCHEMBL1142123

CC1=Cc2c(cnn2-c2ccc(F)cc2)C[C@]1(C)CC(C)(O)c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 9/20 0.54
GLUL P15104 3/20 0.54
PGR P06401 1/20 0.46

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
SCHEMBL1142125 1.00 NR3C1 (0.54) NR3C1GLULPGR
SCHEMBL2484059 0.89 NR3C1 (0.49) NR3C1GLULPGR
SCHEMBL1141799 0.88 NR3C1 (0.50) NR3C1GLULPGR
SCHEMBL1141802 0.88 NR3C1 (0.50) NR3C1GLULPGR
SCHEMBL1141748 0.87 NR3C1 (0.49) NR3C1GLULPGR
SCHEMBL1141746 0.87 NR3C1 (0.49) NR3C1GLULPGR
SCHEMBL2484058 0.87 NR3C1 (0.49) NR3C1GLULPGR
SCHEMBL1142410 0.84 NR3C1 (0.53) NR3C1GLUL
SCHEMBL1142412 0.84 NR3C1 (0.53) NR3C1GLUL
SCHEMBL1142379 0.84 NR3C1 (0.53) NR3C1GLUL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1896424-B1 MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-kB ACTIVITY AND USE THEREOF BRISTOL MYERS SQUIBB CO (US) 2011-09-21 EP claimed
EP-1896424-A2 MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-kB ACTIVITY AND USE THEREOF Bristol-Myers Squibb Company (US) 2008-03-12 EP claimed
US-20070129400-A1 Modulators of glucocorticoid receptor, AP-1, and/or NF-kB activity, and use thereof BRISTOL-MYERS SQUIBB COMPANY 2007-06-07 US claimed
WO-2006138373-A2 MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-kB ACTIVITY AND USE THEREOF BRISTOL-MYERS SQUIBB COMPANY (US) 2006-12-28 WO claimed
EP-1896424-B1 MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-kB ACTIVITY AND USE THEREOF BRISTOL MYERS SQUIBB CO (US) 2011-09-21 EP disclosed
US-7888381-B2 Modulators of glucocorticoid receptor, AP-1, and/or NF-κB activity, and use thereof BRISTOL-MYERS SQUIBB COMPANY (US) 2011-02-15 US disclosed
EP-1896424-A2 MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-kB ACTIVITY AND USE THEREOF Bristol-Myers Squibb Company (US) 2008-03-12 EP disclosed
US-20070129400-A1 Modulators of glucocorticoid receptor, AP-1, and/or NF-kB activity, and use thereof BRISTOL-MYERS SQUIBB COMPANY 2007-06-07 US disclosed
WO-2006138373-A2 MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-kB ACTIVITY AND USE THEREOF BRISTOL-MYERS SQUIBB COMPANY (US) 2006-12-28 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-20070129400-A1 Modulators of glucocorticoid receptor, AP-1, and/or NF-kB activity, and use thereof NR0B1, NR3C1, NFKB2 NR3C1 2/4885GLUL 4507/4885PGR 1018/4885

“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.