SCHEMBL2901347

SCHEMBL2901347

CCCCOc1ccc(-c2ccc(C(CC(C)C)C(C)(C)C(=O)Nc3nncs3)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 13/20 0.51
L3MBTL1 Q9Y468 2/20 0.48
TSHR P16473 2/20 0.48
MAPT P10636 1/20 0.48
NPSR1 Q6W5P4 1/20 0.45
PGR P06401 3/20 0.44
AR P10275 2/20 0.44
XIAP P98170 1/20 0.43
PSMB5 P28074 1/20 0.42
MAPK1 P28482 1/20 0.40
PKM P14618 1/20 0.40

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
SCHEMBL2896238 0.92 NR3C1 (0.53) NR3C1L3MBTL1TSHRMAPTPGR
SCHEMBL2893413 0.88 NR3C1 (0.54) NR3C1L3MBTL1MAPTPGRAR
SCHEMBL2899518 0.86 NR3C1 (0.62) NR3C1PGRAR
SCHEMBL2898787 0.86 NR3C1 (0.59) NR3C1PGRAR
SCHEMBL2901312 0.85 NR3C1 (0.67) NR3C1PGRAR
SCHEMBL2893963 0.84 NR3C1 (0.54) NR3C1PGRAR
SCHEMBL2899060 0.82 NR3C1 (0.57) NR3C1PGRAR
SCHEMBL2896425 0.79 NR3C1 (0.49) NR3C1PGRAR
SCHEMBL2901119 0.77 NR3C1 (0.49) NR3C1PGRAR
SCHEMBL2893967 0.76 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 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 10/4885L3MBTL1 3108/4885TSHR 701/4885

“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.