SCHEMBL754412

SCHEMBL754412

COC(=O)C(C)(C)C(c1ccccc1)c1ccc(Cl)nc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 7/20 0.43
CYP26A1 O43174 5/20 0.41
PGR P06401 1/20 0.40
AR P10275 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
KCNQ3 O43525 2/20 0.39
KCNQ2 O43526 2/20 0.39
ALDH1A1 P00352 1/20 0.37
POLB P06746 1/20 0.37
KMT2A Q03164 1/20 0.37
LMNA P02545 2/20 0.37
MAPK1 P28482 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
KCNN4 O15554 1/20 0.36
KCNE1 P15382 1/20 0.36
KCNQ1 P51787 1/20 0.36

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
SCHEMBL10197955 0.90 CYP26A1 (0.43) NR3C1CYP26A1ALDH1A1MAPK1L3MBTL1
SCHEMBL751636 0.86 NR3C1 (0.42) NR3C1PGRARCYP3A4CYP2D6
SCHEMBL14826292 0.83 KCNN4 (0.50) NR3C1CYP26A1PGRARCYP1A2
SCHEMBL752588 0.82 KMT2A (0.43) NR3C1CYP26A1PGRARCYP1A2
SCHEMBL2287784 0.81 NR3C1 (0.43) NR3C1CYP26A1PGRARCYP1A2
SCHEMBL2290165 0.81 NR3C1 (0.41) NR3C1CYP26A1PGRARCYP1A2
SCHEMBL12418845 0.78 CYP3A4 (0.37) CYP3A4CYP2D6KCNQ3KCNQ2ALDH1A1
SCHEMBL28672348 0.78 CYP26A1 (0.44) NR3C1CYP26A1PGRARCYP1A2
SCHEMBL1363885 0.77 KMT2A (0.46) NR3C1CYP26A1CYP1A2CYP3A4CYP2D6
SCHEMBL2286782 0.77 NR3C1 (0.39) NR3C1CYP26A1PGRARCYP1A2

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8222247-B2 Modulators of glucocorticoid receptor, AP-1, and/or NF-kappabeta activity and use thereof BRISTOL-MYERS SQUIBB COMPANY (US) 2012-07-17 US disclosed
US-8222247-B2 Modulators of glucocorticoid receptor, AP-1, and/or NF-kappabeta activity and use thereof BRISTOL-MYERS SQUIBB COMPANY (US) 2012-07-17 US disclosed
US-8222247-B2 Modulators of glucocorticoid receptor, AP-1, and/or NF-kappabeta activity and use thereof BRISTOL-MYERS SQUIBB COMPANY (US) 2012-07-17 US disclosed
EP-2078015-B1 MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1 AND/OR NF-KAPPAB ACTIVITY AND USE THEREOF BRISTOL MYERS SQUIBB CO (US) 2012-03-21 EP disclosed
US-7994190-B2 Modulators of glucocorticoid receptor, AP-1, and/or NF-κB activity and use thereof BRISTOL-MYERS SQUIBB COMPANY (US) 2011-08-09 US disclosed
US-7994190-B2 Modulators of glucocorticoid receptor, AP-1, and/or NF-κB activity and use thereof BRISTOL-MYERS SQUIBB COMPANY (US) 2011-08-09 US disclosed
US-20100190820-A1 MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-kB ACTIVITY AND USE THEREOF BRISTOL-MYERS SQUIBB COMPANY 2010-07-29 US disclosed
US-20100190820-A1 MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-kB ACTIVITY AND USE THEREOF BRISTOL-MYERS SQUIBB COMPANY 2010-07-29 US disclosed
US-20100004219-A1 MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-KAPPABETA ACTIVITY AND USE THEREOF BRISTOL-MYERS SQUIBB COMPANY 2010-01-07 US disclosed
US-20100004219-A1 MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-KAPPABETA ACTIVITY AND USE THEREOF BRISTOL-MYERS SQUIBB COMPANY 2010-01-07 US disclosed
US-20100004219-A1 MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-KAPPABETA ACTIVITY AND USE THEREOF BRISTOL-MYERS SQUIBB COMPANY 2010-01-07 US disclosed
EP-2089389-A2 HETEROCYCLIC COMPOUNDS AS MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-KAPPA-B ACTIVITY Bristol-Myers Squibb Company (US) 2009-08-19 EP disclosed
EP-2078015-A2 MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1 AND/OR NF-KAPPAB ACTIVITY AND USE THEREOF Brystol-Myers Squibb Company (US) 2009-07-15 EP disclosed
WO-2008057855-A2 HETEROCYCLIC COMPOUNDS AS MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-I, AND/OR NP-KAPPA-B ACTIVITY BRISTOL-MYERS SQUIBB COMPANY (US) 2008-05-15 WO disclosed
WO-2008057859-A2 MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-I AND/OR NF-KAPPAB ACTIVITY AND USE THEREOF BRISTOL-MYERS SQUIBB COMPANY (US) 2008-05-15 WO disclosed
WO-2008057855-A2 HETEROCYCLIC COMPOUNDS AS MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-I, AND/OR NP-KAPPA-B ACTIVITY BRISTOL-MYERS SQUIBB COMPANY (US) 2008-05-15 WO disclosed
WO-2008057859-A2 MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-I AND/OR NF-KAPPAB 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 (2 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-20100004219-A1 MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-KAPPABETA ACTIVITY AND USE THEREOF NR3C1, NFRKB, RELA NR3C1 1/4885CYP26A1 2873/4885PGR 2359/4885
US-20100190820-A1 MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-kB ACTIVITY AND USE THEREOF NR0B1, NR3C1, NFRKB NR3C1 2/4885CYP26A1 1326/4885PGR 1258/4885

“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.