SCHEMBL2898015

SCHEMBL2898015

CC(C)(C(=O)Nc1nc(-c2ccccc2)cs1)C(c1ccccc1)c1cccc(O)c1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.56
NR3C1 P04150 15/20 0.53
PGR P06401 5/20 0.53
AR P10275 4/20 0.53
ALOX5 P09917 1/20 0.51
MRE11 P49959 1/20 0.49
MEN1 O00255 1/20 0.48
ALDH1A1 P00352 1/20 0.48
MAPT P10636 1/20 0.48
HTT P42858 1/20 0.48
KMT2A Q03164 1/20 0.48

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
SCHEMBL2901438 0.91 NR3C1 (0.60) NR3C1PGRARALDH1A1MAPT
SCHEMBL12592719 0.91 RAB9A (0.56) ABL1NR3C1PGRARMEN1
SCHEMBL2900271 0.90 NR3C1 (0.64) NR3C1PGRARALOX5MRE11
SCHEMBL2896407 0.89 NR3C1 (0.62) NR3C1PGRARALOX5MRE11
SCHEMBL2901311 0.87 NR3C1 (0.60) NR3C1PGRAR
SCHEMBL2901237 0.87 TYR (0.49) NR3C1PGRARMEN1MAPT
SCHEMBL12592604 0.87 ALDH1A1 (0.60) NR3C1MEN1ALDH1A1MAPTHTT
SCHEMBL2898070 0.86 NR3C1 (0.53) ABL1NR3C1PGRARMEN1
SCHEMBL2901920 0.86 NR3C1 (0.53) NR3C1PGRARMEN1ALDH1A1
SCHEMBL2899850 0.85 ABL1 (0.64) ABL1NR3C1PGRARMEN1

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 ABL1 4089/4885NR3C1 10/4885PGR 2096/4885

“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.