SCHEMBL2896238

SCHEMBL2896238

CCOc1ccc(-c2ccc(C(CC(C)C)C(C)(C)C(=O)Nc3nncs3)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 15/20 0.53
PGR P06401 3/20 0.43
PSMB5 P28074 1/20 0.43
AR P10275 2/20 0.43
KDM4E B2RXH2 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MAPT P10636 1/20 0.42
TSHR P16473 1/20 0.42
ACACB O00763 1/20 0.40
ACACA Q13085 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
SCHEMBL2901347 0.92 NR3C1 (0.51) NR3C1PGRPSMB5ARL3MBTL1
SCHEMBL2893413 0.90 NR3C1 (0.54) NR3C1PGRARL3MBTL1MAPT
SCHEMBL2898038 0.89 NR3C1 (0.53) NR3C1PGRAR
SCHEMBL2901819 0.88 NR3C1 (0.59) NR3C1PGRAR
SCHEMBL2899518 0.88 NR3C1 (0.62) NR3C1PGRAR
SCHEMBL2898787 0.88 NR3C1 (0.59) NR3C1PGRAR
SCHEMBL2900917 0.87 NR3C1 (0.54) NR3C1PGRAR
SCHEMBL2899718 0.86 NR3C1 (0.53) NR3C1PGRPSMB5ARKDM4E
SCHEMBL2900926 0.86 NR3C1 (0.54) NR3C1PGRAR
SCHEMBL2893963 0.86 NR3C1 (0.54) 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 10/4885PGR 2096/4885PSMB5 520/4885

“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.