SCHEMBL3586189

SCHEMBL3586189

Cn1ncc2cc([C@H](c3ccccc3)C(C)(C)CNC(=O)CC(F)(F)F)ccc21

nearest known ligand 0.75

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 18/20 0.75
PGR P06401 1/20 0.51
MAPK1 P28482 1/20 0.43
PLA2G7 Q13093 1/20 0.42
MGLL Q99685 1/20 0.42
ABHD6 Q9BV23 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
SCHEMBL3586192 1.00 NR3C1 (0.75) NR3C1PGRMAPK1PLA2G7MGLL
SCHEMBL3589077 0.89 NR3C1 (0.72) NR3C1PGR
SCHEMBL3589072 0.89 NR3C1 (0.72) NR3C1PGR
SCHEMBL3589794 0.86 NR3C1 (1.00) NR3C1PGR
SCHEMBL3586276 0.86 NR3C1 (1.00) NR3C1PGR
SCHEMBL3586271 0.86 NR3C1 (1.00) NR3C1PGR
SCHEMBL3593056 0.81 NR3C1 (0.75) NR3C1PGRMAPK1
SCHEMBL3593055 0.81 NR3C1 (0.75) NR3C1PGRMAPK1
SCHEMBL3589952 0.80 NR3C1 (0.60) NR3C1PGRMAPK1
SCHEMBL3599882 0.80 NR3C1 (0.60) NR3C1PGRMAPK1

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
US-8198311-B2 Modulators of glucocorticoid receptor, AP-1, and/or NF-κB activity and use thereof BRISTOL-MYERS SQUIBB COMPANY (US) 2012-06-12 US disclosed
US-8198311-B2 Modulators of glucocorticoid receptor, AP-1, and/or NF-κB activity and use thereof BRISTOL-MYERS SQUIBB COMPANY (US) 2012-06-12 US disclosed
US-8198311-B2 Modulators of glucocorticoid receptor, AP-1, and/or NF-κB activity and use thereof BRISTOL-MYERS SQUIBB COMPANY (US) 2012-06-12 US disclosed
US-20100075961-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-20100075961-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-20100075961-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-2099767-A1 MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF- B ACTIVITY AND USE THEREOF Brystol-Myers Squibb Company (US) 2009-09-16 EP disclosed
WO-2008057857-A1 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-2008057857-A1 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-20100075961-A1 MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-kB ACTIVITY AND USE THEREOF NFRKB, NR0B1, NFKB2 NR3C1 5/4885PGR 1720/4885MAPK1 557/4885

“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.