SCHEMBL3649833

SCHEMBL3649833

COc1ccc(F)cc1C(C)(C)CC(O)(C(=O)Nc1cccc2ncccc12)C(F)(F)F

nearest known ligand 0.71

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 15/20 0.71
PGR P06401 5/20 0.71
NR3C2 P08235 9/20 0.57
AR P10275 1/20 0.57
KDM4E B2RXH2 1/20 0.47
MAPT P10636 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HSD17B10 Q99714 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46

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
SCHEMBL3649826 0.91 NR3C1 (0.58) NR3C1PGRNR3C2ARKDM4E
SCHEMBL3700968 0.88 NR3C1 (0.56) NR3C1PGRNR3C2ARKDM4E
SCHEMBL5800252 0.86 NR3C1 (0.56) NR3C1PGRNR3C2AR
SCHEMBL3693681 0.85 MAPT (0.55) NR3C1PGRNR3C2ARKDM4E
SCHEMBL4195130 0.83 NR3C1 (1.00) NR3C1PGRNR3C2
SCHEMBL4196464 0.80 PABPC1 (0.51) NR3C1PGRKDM4EMAPTSMN1; SMN2
SCHEMBL4827236 0.80 PABPC1 (0.51) NR3C1PGRNR3C2KDM4ESMN1; SMN2
SCHEMBL6686671 0.79 NR3C1 (0.68) NR3C1PGRNR3C2AR
SCHEMBL6765214 0.78 NR3C1 (0.45) NR3C1PGRNR3C2ARKDM4E
SCHEMBL3648350 0.77 NR3C1 (0.75) NR3C1PGRNR3C2

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-8282909-B2 Pharmaceutical composition for topical application of poorly soluble compounds INTENDIS GMBH (DE) 2012-10-09 US claimed
US-8282909-B2 Pharmaceutical composition for topical application of poorly soluble compounds INTENDIS GMBH (DE) 2012-10-09 US disclosed
EP-2182918-A2 PHARMACEUTICAL COMPOSITION FOR TOPICAL APPLICATION OF POORLY SOLUBLE COMPOUNDS Intendis GmbH (DE) 2010-05-12 EP disclosed
US-20090016969-A1 PHARMACEUTICAL COMPOSITION FOR TOPICAL APPLICATION OF POORLY SOLUBLE COMPOUNDS INTENDIS GMBH (DE) 2009-01-15 US disclosed
WO-2009007137-A2 PHARMACEUTICAL COMPOSITION FOR TOPICAL APPLICATION OF POORLY SOLUBLE COMPOUNDS INTENDIS GMBH (DE) 2009-01-15 WO disclosed
US-7329753-B2 Quinoline and isoquinoline derivatives, a process for their production and their use as inflammation inhibitors SCHERING AG (DE) 2008-02-12 US disclosed
US-7329753-B2 Quinoline and isoquinoline derivatives, a process for their production and their use as inflammation inhibitors SCHERING AG (DE) 2008-02-12 US disclosed
US-7329753-B2 Quinoline and isoquinoline derivatives, a process for their production and their use as inflammation inhibitors SCHERING AG (DE) 2008-02-12 US disclosed
EP-1492771-B1 QUINOLINE AND ISOQUINOLINE DERIVATIVES, METHOD FOR THE PRODUCTION THEREOF AND USE THEREOF AS ANTI-INFLAMMATORY AGENTS SCHERING AG (DE) 2007-02-28 EP disclosed
EP-1492771-B1 QUINOLINE AND ISOQUINOLINE DERIVATIVES, METHOD FOR THE PRODUCTION THEREOF AND USE THEREOF AS ANTI-INFLAMMATORY AGENTS SCHERING AG (DE) 2007-02-28 EP disclosed
US-20060229333-A1 Quinoline and isoquinoline derivatives, a process for their production and their use as inflammation inhibitors BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2006-10-12 US disclosed
US-7109212-B2 Quinoline and isoquinoline derivatives, a process for their production and their use as inflammation inhibitors SCHERING AG (DE) 2006-09-19 US disclosed
US-20050165050-A1 Quinoline and isoquinoline derivatives, a process for their production and their use as inflammation inhibitors BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2005-07-28 US disclosed
US-6897224-B2 Quinoline and isoquinoline derivatives, a process for their production and their use as inflammation inhibitors SCHERING AG (DE) 2005-05-24 US disclosed
EP-1492771-A1 QUINOLINE AND ISOQUINOLINE DERIVATIVES, METHOD FOR THE PRODUCTION THEREOF AND USE THEREOF AS ANTI-INFLAMMATORY AGENTS SCHERING AKTIENGESELLSCHAFT (DE) 2005-01-05 EP disclosed
US-20040116694-A1 Quinoline and isoquinoline derivatives, a process for their production and their use as inflammation inhibitors SCHERING AG (DE) 2004-06-17 US disclosed
WO-2003082827-A1 QUINOLINE AND ISOQUINOLINE DERIVATIVES, METHOD FOR THE PRODUCTION THEREOF AND USE THEREOF AS ANTI-INFLAMMATORY AGENTS SCHERING AKTIENGESELLSCHAFT (DE) 2003-10-09 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-20060229333-A1 Quinoline and isoquinoline derivatives, a process for their production and their use as inflammation inhibitors NFKBIA, IL1B, IRF3 NR3C1 2380/4885PGR 3899/4885NR3C2 2406/4885
US-20050165050-A1 Quinoline and isoquinoline derivatives, a process for their production and their use as inflammation inhibitors NFKBIA, IL1B, IRF3 NR3C1 2380/4885PGR 3899/4885NR3C2 2406/4885

“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.