SCHEMBL4431405

SCHEMBL4431405

CC1(c2ccccc2)c2ccccc2CC1C(=O)Nc1nccs1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 10/20 0.48
PGR P06401 3/20 0.48
AR P10275 2/20 0.48
ESR1 P03372 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
TSHR P16473 2/20 0.47
USP2 O75604 1/20 0.47
ALOX15 P16050 1/20 0.47
MAPK1 P28482 1/20 0.47
LMNA P02545 3/20 0.46
GAA P10253 1/20 0.46
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
AURKA O14965 1/20 0.44
PIM1 P11309 1/20 0.44
CDK2 P24941 1/20 0.44
GSK3B P49841 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL4431400 1.00 NR3C1 (0.48) NR3C1PGRARESR1SMN1; SMN2
SCHEMBL13600211 1.00 NR3C1 (0.48) NR3C1PGRARESR1SMN1; SMN2
SCHEMBL4440251 1.00 NR3C1 (0.48) NR3C1PGRARESR1SMN1; SMN2
SCHEMBL13600210 1.00 NR3C1 (0.48) NR3C1PGRARESR1SMN1; SMN2
SCHEMBL4440277 0.93 NR3C1 (0.46) NR3C1PGRARESR1SMN1; SMN2
SCHEMBL4433130 0.93 NR3C1 (0.46) NR3C1PGRARESR1SMN1; SMN2
SCHEMBL13600226 0.93 NR3C1 (0.46) NR3C1PGRARESR1SMN1; SMN2
SCHEMBL4433126 0.93 NR3C1 (0.46) NR3C1PGRARESR1SMN1; SMN2
SCHEMBL13600227 0.93 NR3C1 (0.46) NR3C1PGRARESR1SMN1; SMN2
SCHEMBL4432211 0.90 NR3C1 (0.44) NR3C1PGRARESR1SMN1; 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 9 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
EP-1973890-A2 INDANE MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-KB ACTIVITY AND USE THEREOF Brystol-Myers Squibb Company (US) 2008-10-01 EP 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
WO-2007073503-A2 INDANE MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-KB ACTIVITY AND USE THEREOF BRISTOL-MYERS SQUIBB COMPANY (US) 2007-06-28 WO 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.