SCHEMBL1362269

SCHEMBL1362269

CC(C)(C(=O)O)C(c1ccccc1)c1ccc2[nH]ncc2c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 3/20 0.64
MAPK1 P28482 3/20 0.47
ROCK2 O75116 7/20 0.46
ROCK1 Q13464 4/20 0.46
CTNNB1 P35222 1/20 0.46
WNT3A P56704 1/20 0.46
NPC1 O15118 1/20 0.45
JAK2 O60674 1/20 0.45
RAB9A P51151 1/20 0.45
CYP3A4 P08684 3/20 0.45
DYRK3 O43781 1/20 0.44
CLK1 P49759 1/20 0.44
CLK2 P49760 1/20 0.44
CLK3 P49761 1/20 0.44
GSK3B P49841 1/20 0.44
CDK5 Q00535 1/20 0.44
DYRK1A Q13627 1/20 0.44
CDK5R1 Q15078 1/20 0.44
DYRK2 Q92630 1/20 0.44
CLK4 Q9HAZ1 1/20 0.44

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
SCHEMBL16502293 0.88 NR3C1 (0.60) NR3C1MAPK1ROCK2ROCK1CTNNB1
SCHEMBL3604319 0.88 NR3C1 (0.63) NR3C1MAPK1ROCK2ROCK1CTNNB1
SCHEMBL1361061 0.88 NR3C1 (0.63) NR3C1MAPK1ROCK2ROCK1CTNNB1
SCHEMBL3578328 0.80 NR3C1 (0.51) NR3C1MAPK1ROCK2ROCK1CTNNB1
SCHEMBL3587902 0.80 NR3C1 (0.51) NR3C1MAPK1ROCK2ROCK1CTNNB1
SCHEMBL3587907 0.80 NR3C1 (0.51) NR3C1MAPK1ROCK2ROCK1CTNNB1
SCHEMBL3578324 0.80 NR3C1 (0.51) NR3C1MAPK1ROCK2ROCK1CTNNB1
SCHEMBL1359898 0.79 NR3C1 (1.00) NR3C1
SCHEMBL1360985 0.79 NR3C1 (0.75) NR3C1
SCHEMBL1363278 0.79 NR3C1 (0.62) NR3C1CTNNB1WNT3ANPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2094692-B1 MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1 AND/OR NF-KAPPAB ACTIVITY AND USE THEREOF BRISTOL MYERS SQUIBB CO (US) 2012-11-28 EP disclosed
US-8067447-B2 Modulators of glucocorticoid receptor, AP-1, and/or NF-κB activity and use thereof BRISTOL-MYERS SQUIBB COMPANY (US) 2011-11-29 US disclosed
US-8067447-B2 Modulators of glucocorticoid receptor, AP-1, and/or NF-κB activity and use thereof BRISTOL-MYERS SQUIBB COMPANY (US) 2011-11-29 US disclosed
US-8067447-B2 Modulators of glucocorticoid receptor, AP-1, and/or NF-κB activity and use thereof BRISTOL-MYERS SQUIBB COMPANY (US) 2011-11-29 US disclosed
US-20100076014-A1 MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-kB ACTIVITY AND USE THEREOF BRISTOL-MYERS SQUIBB COMPANY 2010-03-25 US disclosed
US-20100076014-A1 MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-kB ACTIVITY AND USE THEREOF BRISTOL-MYERS SQUIBB COMPANY 2010-03-25 US disclosed
US-20100076014-A1 MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-kB ACTIVITY AND USE THEREOF BRISTOL-MYERS SQUIBB COMPANY 2010-03-25 US disclosed
EP-2094692-A2 MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1 AND/OR NF-KAPPAB ACTIVITY AND USE THEREOF Brystol-Myers Squibb Company (US) 2009-09-02 EP disclosed
WO-2008057856-A2 MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1 AND/OR NF-KAPPAB ACTIVITY AND USE THEREOF BRISTOL-MYERS SQUIBB COMPANY (US) 2008-05-15 WO disclosed
WO-2008057856-A2 MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1 AND/OR NF-KAPPAB 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-20100076014-A1 MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-kB ACTIVITY AND USE THEREOF NFRKB, NFKBIA, NFKB1 NR3C1 11/4885MAPK1 277/4885ROCK2 3744/4885

“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.