SCHEMBL2895571

SCHEMBL2895571

CC(C)(C(=O)Nc1nc(-c2ccccc2F)cs1)C(c1ccccc1)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GSTO1 P78417 1/20 0.57
NR3C1 P04150 15/20 0.55
PGR P06401 3/20 0.52
AR P10275 3/20 0.52
SIRT5 Q9NXA8 1/20 0.48
VCP P55072 1/20 0.47
MEN1 O00255 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
KMT2A Q03164 1/20 0.46
TYR P14679 1/20 0.46

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
SCHEMBL2892002 0.88 NR3C1 (0.52) GSTO1NR3C1PGRARTYR
SCHEMBL2901492 0.87 GSTO1 (0.57) GSTO1NR3C1PGRARMEN1
SCHEMBL2899056 0.86 MEN1 (0.54) NR3C1PGRARMEN1KMT2A
SCHEMBL2901438 0.85 NR3C1 (0.60) GSTO1NR3C1PGRARRAB9A
SCHEMBL2898966 0.84 LMNA (0.60) NR3C1MEN1RAB9AKMT2A
SCHEMBL2899220 0.84 MEN1 (0.56) NR3C1PGRARMEN1NPC1
SCHEMBL2901386 0.83 HDAC3 (0.55) NR3C1PGRARMEN1KMT2A
SCHEMBL2899879 0.83 NR3C1 (0.53) NR3C1PGRARTYR
SCHEMBL2899028 0.82 LMNA (0.57) NR3C1PGRARMEN1NPC1
SCHEMBL2901142 0.82 MEN1 (0.51) NR3C1PGRARMEN1KMT2A

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 GSTO1 712/4885NR3C1 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.