SCHEMBL4440259

SCHEMBL4440259

COc1cccc(C2c3cc(C#N)ccc3CC2(C)C(=O)Nc2nncs2)c1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 7/20 0.45
PGR P06401 2/20 0.45
AR P10275 1/20 0.45
GAA P10253 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.36
KMT2A Q03164 2/20 0.36
POLB P06746 1/20 0.36
GSK3B P49841 1/20 0.35
NR3C2 P08235 1/20 0.35
ITK Q08881 1/20 0.34
ESR1 P03372 1/20 0.34
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
PLAU P00749 1/20 0.33
GALK1 P51570 1/20 0.33

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
SCHEMBL4440249 1.00 NR3C1 (0.45) NR3C1PGRARGAASMN1; SMN2
SCHEMBL4432580 1.00 NR3C1 (0.45) NR3C1PGRARGAASMN1; SMN2
SCHEMBL4431408 0.92 NR3C1 (0.46) NR3C1PGRARGAASMN1; SMN2
SCHEMBL13600504 0.92 NR3C1 (0.46) NR3C1PGRARGAASMN1; SMN2
SCHEMBL4431411 0.92 NR3C1 (0.46) NR3C1PGRARGAASMN1; SMN2
SCHEMBL4433787 0.92 NR3C1 (0.49) NR3C1PGRARGAASMN1; SMN2
SCHEMBL13607452 0.92 NR3C1 (0.49) NR3C1PGRARGAASMN1; SMN2
SCHEMBL4433786 0.92 NR3C1 (0.49) NR3C1PGRARGAASMN1; SMN2
SCHEMBL4438080 0.91 GAA (0.46) NR3C1PGRARGAASMN1; SMN2
SCHEMBL4438075 0.91 GAA (0.46) NR3C1PGRARGAASMN1; SMN2

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-20090325961-A1 INDANE MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-kB ACTIVITY AND USE THEREOF BRISTOL-MYERS SQUIBB COMPANY 2009-12-31 US claimed
US-7592461-B2 Indane modulators of glucocorticoid receptor, AP-1, and/or NF-κB activity and use thereof BRISTOL-MYERS SQUIBB COMPANY (US) 2009-09-22 US claimed
US-20070185056-A1 Indane modulators of glucocorticoid receptor, AP-1, and/or NF/kB activity and use thereof BRISTOL-MYERS SQUIBB COMPANY 2007-08-09 US claimed
US-8324401-B2 Indane modulators of glucocorticoid receptor, AP-1, and/or NF-κB activity and use thereof BRISTOL-MYERS SQUIBB COMPANY (US) 2012-12-04 US disclosed
US-20090325961-A1 INDANE MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-kB ACTIVITY AND USE THEREOF BRISTOL-MYERS SQUIBB COMPANY 2009-12-31 US disclosed
US-7592461-B2 Indane modulators of glucocorticoid receptor, AP-1, and/or NF-κB activity and use thereof BRISTOL-MYERS SQUIBB COMPANY (US) 2009-09-22 US disclosed
US-20070185056-A1 Indane modulators of glucocorticoid receptor, AP-1, and/or NF/kB activity and use thereof BRISTOL-MYERS SQUIBB COMPANY 2007-08-09 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 (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-20090325961-A1 INDANE MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-kB ACTIVITY AND USE THEREOF NFKB1, NR3C1, NR5A1 NR3C1 2/4885PGR 640/4885AR 180/4885
US-20070185056-A1 Indane modulators of glucocorticoid receptor, AP-1, and/or NF/kB activity and use thereof NFKB1, NR3C1, NR5A1 NR3C1 2/4885PGR 636/4885AR 168/4885

“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.