SCHEMBL2899509

SCHEMBL2899509

CC(C)(C(=O)Nc1nccs1)C(C)(c1ccccc1)c1ccc(N2CCOCC2)cc1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.49
KDM4E B2RXH2 1/20 0.49
ALDH1A1 P00352 3/20 0.48
TSHR P16473 1/20 0.48
NR3C1 P04150 4/20 0.47
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
CASR P41180 1/20 0.45
PGR P06401 1/20 0.44
AR P10275 1/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MTOR P42345 1/20 0.43
MAPT P10636 1/20 0.43
TRPV4 Q9HBA0 1/20 0.42

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
SCHEMBL2893740 0.85 NR3C1 (0.62) LMNATSHRNR3C1MEN1KMT2A
SCHEMBL2893323 0.81 NR3C1 (0.72) NR3C1PGRAR
SCHEMBL12592836 0.81 NR3C1 (0.72) NR3C1PGRAR
SCHEMBL12592837 0.81 NR3C1 (0.72) NR3C1PGRAR
SCHEMBL12592356 0.77 SMN1; SMN2 (0.51) LMNAALDH1A1TSHRMEN1KMT2A
SCHEMBL2895661 0.75 NR3C1 (0.60) NR3C1PGRAR
SCHEMBL756246 0.75 NR3C1 (0.57) NR3C1PGRAR
SCHEMBL2900248 0.74 NR3C1 (0.60) NR3C1PGRAR
SCHEMBL2893528 0.74 NR3C1 (0.59) LMNANR3C1PGRAR
SCHEMBL2896433 0.74 NR3C1 (0.47) LMNAALDH1A1NR3C1CASRPGR

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 LMNA 3747/4885KDM4E 2482/4885ALDH1A1 4179/4885

“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.