SCHEMBL2896433

SCHEMBL2896433

CC(C)CC(c1ccc(N2CCOCC2)cc1)C(C)(C)C(=O)Nc1nccs1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 10/20 0.47
PGR P06401 3/20 0.46
AR P10275 3/20 0.46
FFAR2 O15552 1/20 0.45
CASR P41180 1/20 0.43
MTOR P42345 1/20 0.43
CYP2D6 P10635 1/20 0.42
ADORA2A P29274 1/20 0.42
LMNA P02545 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LIPG Q9Y5X9 1/20 0.42
PSEN1 P49768 1/20 0.42
PSEN2 P49810 1/20 0.42
APH1B Q8WW43 1/20 0.42
NCSTN Q92542 1/20 0.42
APH1A Q96BI3 1/20 0.42
PSENEN Q9NZ42 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42

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
SCHEMBL2893967 0.85 NR3C1 (0.57) NR3C1PGRARALDH1A1
SCHEMBL2901539 0.83 PKM (0.48) NR3C1ADORA2ALMNAALDH1A1PSEN1
SCHEMBL2895661 0.83 NR3C1 (0.60) NR3C1PGRAR
SCHEMBL12592837 0.83 NR3C1 (0.72) NR3C1PGRAR
SCHEMBL2893323 0.83 NR3C1 (0.72) NR3C1PGRAR
SCHEMBL12592836 0.83 NR3C1 (0.72) NR3C1PGRAR
SCHEMBL2893528 0.82 NR3C1 (0.59) NR3C1PGRARFFAR2LMNA
SCHEMBL2900248 0.82 NR3C1 (0.60) NR3C1PGRAR
SCHEMBL2901561 0.82 NR3C1 (0.55) NR3C1PGRARFFAR2LMNA
SCHEMBL756246 0.80 NR3C1 (0.57) 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 5 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
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.