SCHEMBL2900773

SCHEMBL2900773

CC(C)(C(=O)O)C(c1ccccc1)c1ccc(N)cc1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.42
CNR1 P21554 1/20 0.42
NR3C1 P04150 6/20 0.41
PGR P06401 1/20 0.40
AR P10275 1/20 0.40
AOC3 Q16853 1/20 0.40
CYP2C19 P33261 1/20 0.39
TDP1 Q9NUW8 2/20 0.38
POLB P06746 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
SOAT1 P35610 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.37
CYP2D6 P10635 2/20 0.37
CYP2C9 P11712 1/20 0.37
HIF1A Q16665 1/20 0.37
CYP1A2 P05177 1/20 0.37
ATM Q13315 1/20 0.37

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
SCHEMBL2896278 0.89 NR3C1 (0.47) NR3C1PGRARAOC3TDP1
SCHEMBL12592391 0.82 MEN1 (0.47) CNR2CNR1NR3C1PGRAR
SCHEMBL12592366 0.79 NR3C1 (0.56) CNR2CNR1NR3C1TDP1POLB
SCHEMBL12592369 0.79 NR3C1 (0.56) CNR2CNR1NR3C1TDP1POLB
SCHEMBL12592368 0.79 NR3C1 (0.56) CNR2CNR1NR3C1TDP1POLB
SCHEMBL10198841 0.79 SLC6A2 (0.48) NR3C1PGRARSMN1; SMN2
SCHEMBL12647931 0.78 NR3C1 (0.42) NR3C1PGRARPOLB
SCHEMBL6017678 0.77 MAPT (0.50) NR3C1PGRARAOC3TDP1
SCHEMBL12592357 0.77 POLB (0.62) NR3C1POLBSMN1; SMN2L3MBTL1
SCHEMBL7836925 0.75 AOC3 (0.46) AOC3CYP2C19TDP1L3MBTL1CYP2D6

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 7 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-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
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
EP-2089355-A2 MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF- KAPPA B ACTIVITY AND USE THEREOF Brystol-Myers Squibb Company (US) 2009-08-19 EP 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
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 CNR2 733/4885CNR1 256/4885NR3C1 10/4885

“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.