SCHEMBL2901500

SCHEMBL2901500

CCCc1ccc(-c2ccc(C(CC(C)C)C(C)(C)C(=O)Nc3nccs3)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 13/20 0.49
PGR P06401 3/20 0.48
AR P10275 3/20 0.48
LMNA P02545 1/20 0.47
XBP1 P17861 1/20 0.47
FFAR2 O15552 2/20 0.46
KDM4E B2RXH2 1/20 0.45
MEN1 O00255 1/20 0.42
PKM P14618 1/20 0.42
HTT P42858 1/20 0.42
KMT2A Q03164 1/20 0.42
HIF1A Q16665 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL2899891 0.90 LMNA (0.60) NR3C1PGRARLMNAXBP1
SCHEMBL2899873 0.86 NR3C1 (0.65) NR3C1PGRARLMNAXBP1
SCHEMBL2903911 0.85 NR3C1 (0.53) NR3C1PGRARLMNAXBP1
SCHEMBL2899718 0.84 NR3C1 (0.53) NR3C1PGRARKDM4E
SCHEMBL2898750 0.83 NR3C1 (0.48) NR3C1PGRARLMNAXBP1
SCHEMBL2901561 0.83 NR3C1 (0.55) NR3C1PGRARLMNAXBP1
SCHEMBL2896433 0.77 NR3C1 (0.47) NR3C1PGRARLMNAFFAR2
SCHEMBL2893963 0.74 NR3C1 (0.54) NR3C1PGRARFFAR2
SCHEMBL2901362 0.74 NR3C1 (0.54) NR3C1PGRAR
SCHEMBL2901347 0.73 NR3C1 (0.51) NR3C1PGRARPKMNPSR1

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 7 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
WO-2008057862-A2 MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-ϰB ACTIVITY AND USE THEREOF BRISTOL-MYERS SQUIBB COMPANY (US) 2008-05-15 WO 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 2096/4885AR 113/4885

“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.