SCHEMBL2898724

SCHEMBL2898724

COc1ccc(C(c2ccc(OC)cc2)C(C)(C)C(=O)Nc2nc(C)cs2)cc1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 8/20 0.61
RAB9A P51151 3/20 0.50
NPC1 O15118 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
HPGD P15428 1/20 0.50
ALDH1A1 P00352 1/20 0.47
MAPT P10636 1/20 0.46
KMT2A Q03164 1/20 0.46
ROCK2 O75116 1/20 0.45
ROCK1 Q13464 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
PGR P06401 1/20 0.45
AR P10275 1/20 0.45
FFAR2 O15552 1/20 0.45

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
SCHEMBL12592849 0.96 NR3C1 (0.69) NR3C1RAB9ANPC1SMN1; SMN2HPGD
SCHEMBL12592850 0.96 NR3C1 (0.69) NR3C1RAB9ANPC1SMN1; SMN2HPGD
SCHEMBL2898760 0.96 NR3C1 (0.69) NR3C1RAB9ANPC1SMN1; SMN2HPGD
SCHEMBL2901557 0.87 KMT2A (0.61) NR3C1RAB9ANPC1SMN1; SMN2HPGD
SCHEMBL2895557 0.86 NR3C1 (0.59) NR3C1RAB9ANPC1SMN1; SMN2HPGD
SCHEMBL2899819 0.86 NR3C1 (0.57) NR3C1RAB9ANPC1SMN1; SMN2HPGD
SCHEMBL2897909 0.85 NR3C1 (0.66) NR3C1RAB9ANPC1MAPTPGR
SCHEMBL2899511 0.85 NR3C1 (0.63) NR3C1RAB9ANPC1SMN1; SMN2HPGD
SCHEMBL2892407 0.83 NR3C1 (0.67) NR3C1RAB9ANPC1SMN1; SMN2HPGD
SCHEMBL2893013 0.83 NR3C1 (0.64) NR3C1RAB9ANPC1SMN1; SMN2ALDH1A1

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 10/4885RAB9A 2635/4885NPC1 1595/4885

“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.