SCHEMBL1492610

SCHEMBL1492610

C#CCC(O)(CC(C)(C)c1ccccc1Br)C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 18/20 0.44
NR3C2 P08235 11/20 0.36
PGR P06401 5/20 0.36
PDK1 Q15118 1/20 0.35
PDK2 Q15119 1/20 0.35
PDK3 Q15120 1/20 0.35
PDK4 Q16654 1/20 0.35
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA5A P35218 1/20 0.34
CA9 Q16790 1/20 0.34
CYP3A4 P08684 1/20 0.32

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
SCHEMBL1716140 0.84 NR3C1 (0.50) NR3C1NR3C2PGR
SCHEMBL1492577 0.84 NR3C1 (0.50) NR3C1NR3C2PGR
SCHEMBL1492584 0.83 NR3C1 (0.48) NR3C1NR3C2PGR
SCHEMBL3532962 0.83 NR3C1 (0.46) NR3C1NR3C2PGRPDK1PDK2
SCHEMBL1492522 0.79 NR3C1 (0.51) NR3C1NR3C2PGRCYP3A4
SCHEMBL1492589 0.79 NR3C1 (0.38) NR3C1NR3C2PGRPDK1PDK2
SCHEMBL1716201 0.78 NR3C1 (0.48) NR3C1NR3C2PGRPDK2CYP3A4
SCHEMBL1492596 0.78 NR3C1 (0.38) NR3C1NR3C2PGRCA1CA2
SCHEMBL1716231 0.78 NR3C1 (0.38) NR3C1NR3C2PGRCA1CA2
SCHEMBL1716200 0.78 NR3C1 (0.48) NR3C1NR3C2PGRPDK2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8268859-B2 Glucocorticoid mimetics, methods of making them, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-09-18 US disclosed
EP-2300472-B1 GLUCOCORTICOID MIMETICS, METHODS OF MAKING THEM, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF BOEHRINGER INGELHEIM INT (DE) 2012-01-18 EP disclosed
EP-2300472-A1 GLUCOCORTICOID MIMETICS, METHODS OF MAKING THEM, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF Boehringer Ingelheim International GmbH (DE) 2011-03-30 EP disclosed
US-20090325988-A1 Glucocorticoid Mimetics, Methods of Making Them, Pharmaceutical Compositions and Uses Thereof BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2009-12-31 US disclosed
WO-2009149139-A1 GLUCOCORTICOID MIMETICS, METHODS OF MAKING THEM, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-12-10 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-20090325988-A1 Glucocorticoid Mimetics, Methods of Making Them, Pharmaceutical Compositions and Uses Thereof NR3C1, NR3C2, MC2R NR3C1 1/4885NR3C2 2/4885PGR 187/4885

“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.