SCHEMBL2892407

SCHEMBL2892407

COc1ccc(C(c2ccccc2)C(C)(C)C(=O)Nc2nc(C(C)(C)C)cs2)cc1

nearest known ligand 0.67

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 13/20 0.67
KMT2A Q03164 4/20 0.57
MAPK1 P28482 3/20 0.52
MEN1 O00255 3/20 0.52
NPC1 O15118 3/20 0.52
RAB9A P51151 3/20 0.52
ALDH1A1 P00352 2/20 0.52
POLB P06746 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
PGR P06401 2/20 0.51
AR P10275 1/20 0.51
FFAR2 O15552 1/20 0.46
LMNA P02545 1/20 0.46
HPGD P15428 1/20 0.46
ALOX15 P16050 1/20 0.46
TSHR P16473 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
HSD17B10 Q99714 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
SCHEMBL2901557 0.96 KMT2A (0.61) NR3C1KMT2AMAPK1MEN1NPC1
SCHEMBL2898784 0.91 NR3C1 (0.62) NR3C1KMT2AMAPK1MEN1NPC1
SCHEMBL2900694 0.91 NR3C1 (0.56) NR3C1KMT2AMAPK1MEN1NPC1
SCHEMBL12592849 0.88 NR3C1 (0.69) NR3C1NPC1RAB9AALDH1A1POLB
SCHEMBL2898760 0.88 NR3C1 (0.69) NR3C1NPC1RAB9AALDH1A1POLB
SCHEMBL12592850 0.88 NR3C1 (0.69) NR3C1NPC1RAB9AALDH1A1POLB
SCHEMBL2901843 0.88 NR3C1 (0.65) NR3C1KMT2AMAPK1MEN1NPC1
SCHEMBL2893201 0.86 MAPK1 (0.59) NR3C1KMT2AMAPK1MEN1NPC1
SCHEMBL12592629 0.86 NR3C1 (0.66) NR3C1KMT2AMAPK1MEN1NPC1
SCHEMBL2899750 0.85 NR3C1 (0.53) NR3C1KMT2AMAPK1MEN1NPC1

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 NR3C1 10/4885KMT2A 2852/4885MAPK1 255/4885

“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.