SCHEMBL2898743

SCHEMBL2898743

CC(C)CC(c1ccc(-c2ccc(C(=O)N3CCOCC3)cc2)cc1)C(C)(C)C(=O)Nc1nncs1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 15/20 0.51
PGR P06401 4/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C8 P10632 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
HRH3 Q9Y5N1 1/20 0.44
HPGD P15428 1/20 0.42
ALDH1A1 P00352 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HSD17B10 Q99714 1/20 0.42
KMT2A Q03164 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MEN1 O00255 1/20 0.40
AR P10275 2/20 0.39

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 0.86 NR3C1 (0.57) NR3C1PGRALDH1A1SMN1; SMN2HSD17B10
SCHEMBL2892009 0.84 NR3C1 (0.62) NR3C1PGRCYP3A4CYP2C8CYP2C9
SCHEMBL2898906 0.84 NR3C1 (0.54) NR3C1PGRAR
SCHEMBL2901819 0.82 NR3C1 (0.59) NR3C1PGRAR
SCHEMBL2898787 0.82 NR3C1 (0.59) NR3C1PGRAR
SCHEMBL2899518 0.82 NR3C1 (0.62) NR3C1PGRAR
SCHEMBL2892993 0.81 NR3C1 (0.52) NR3C1PGRAR
SCHEMBL2901398 0.81 NR3C1 (0.52) NR3C1PGRAR
SCHEMBL2901081 0.81 NR3C1 (0.55) NR3C1PGRSMN1; SMN2AR
SCHEMBL2896425 0.80 NR3C1 (0.49) NR3C1PGRSMN1; SMN2KMT2AMEN1

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 2 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-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 2096/4885CYP3A4 1887/4885

“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.