SCHEMBL2901719

SCHEMBL2901719

CC(C)(C(=O)Nc1nc(-c2cccc3ccccc23)cs1)C(c1ccccc1)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.48
MAPT P10636 3/20 0.48
KMT2A Q03164 3/20 0.48
NR3C1 P04150 14/20 0.47
PGR P06401 4/20 0.46
AR P10275 3/20 0.46
USP2 O75604 1/20 0.45
USP8 P40818 1/20 0.45
ALDH1A1 P00352 1/20 0.42
HTT P42858 1/20 0.42
NPSR1 Q6W5P4 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
SCHEMBL2899056 0.92 MEN1 (0.54) MEN1MAPTKMT2ANR3C1PGR
SCHEMBL2900712 0.90 NR3C1 (0.58) MEN1MAPTKMT2ANR3C1PGR
SCHEMBL2901142 0.89 MEN1 (0.51) MEN1MAPTKMT2ANR3C1PGR
SCHEMBL2899345 0.88 NR3C1 (0.54) MEN1MAPTKMT2ANR3C1PGR
SCHEMBL2901404 0.87 NR3C1 (0.60) MEN1MAPTKMT2ANR3C1PGR
SCHEMBL2898047 0.86 HDAC3 (0.53) NR3C1PGRAR
SCHEMBL2901237 0.86 TYR (0.49) MEN1MAPTKMT2ANR3C1PGR
SCHEMBL2901569 0.85 NR3C1 (0.56) MEN1MAPTKMT2ANR3C1ALDH1A1
SCHEMBL2898765 0.84 NR3C1 (0.51) MEN1MAPTKMT2ANR3C1ALDH1A1
SCHEMBL2901336 0.83 RAB9A (0.55) 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 4 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

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 MEN1 3339/4885MAPT 1222/4885KMT2A 2852/4885

“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.