SCHEMBL2899345

SCHEMBL2899345

CC(C)(C(=O)Nc1nc(-c2cccc3ccccc23)cs1)C(c1ccc(O)cc1)c1ccc(O)cc1

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 12/20 0.54
PGR P06401 3/20 0.54
AR P10275 2/20 0.54
MEN1 O00255 4/20 0.52
MAPT P10636 4/20 0.52
KMT2A Q03164 4/20 0.52
TYR P14679 3/20 0.50
ALDH1A1 P00352 1/20 0.45
HTT P42858 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45

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
SCHEMBL2900712 0.98 NR3C1 (0.58) NR3C1PGRARMEN1MAPT
SCHEMBL2899056 0.93 MEN1 (0.54) NR3C1PGRARMEN1MAPT
SCHEMBL2901142 0.91 MEN1 (0.51) NR3C1PGRARMEN1MAPT
SCHEMBL2901237 0.90 TYR (0.49) NR3C1PGRARMEN1MAPT
SCHEMBL2892648 0.89 TYR (0.53) NR3C1PGRARMEN1MAPT
SCHEMBL2901569 0.89 NR3C1 (0.56) NR3C1MEN1MAPTKMT2AALDH1A1
SCHEMBL2901404 0.88 NR3C1 (0.60) NR3C1PGRARMEN1MAPT
SCHEMBL2901719 0.88 MEN1 (0.48) NR3C1PGRARMEN1MAPT
SCHEMBL2898765 0.84 NR3C1 (0.51) NR3C1MEN1MAPTKMT2AALDH1A1
SCHEMBL2896407 0.84 NR3C1 (0.62) NR3C1PGRARMEN1MAPT

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 6 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-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
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

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.