SCHEMBL1492575

SCHEMBL1492575

Cc1ccccc1C(C)(C)CC(=O)C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 2/20 0.42
NR3C2 P08235 2/20 0.42
PGR P06401 1/20 0.42
CES1 P23141 5/20 0.42
GAA P10253 2/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
ATM Q13315 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
PDK1 Q15118 1/20 0.37
PDK2 Q15119 1/20 0.37
PDK3 Q15120 1/20 0.37
PDK4 Q16654 1/20 0.37
FAAH O00519 3/20 0.36
GABRA1 P14867 1/20 0.35
GABRB2 P47870 1/20 0.35
CPA1 P15085 1/20 0.35
CYP2C19 P33261 2/20 0.35
CYP1A2 P05177 1/20 0.35

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
SCHEMBL1492562 0.81 CA1 (0.41) CES1GAAPDK1PDK2PDK3
SCHEMBL13826224 0.80 GABRA1 (0.38) NR3C1NR3C2PGRGAAKDM4E
SCHEMBL379406 0.79 NR3C1 (0.48) NR3C1NR3C2PGRCYP3A4
SCHEMBL4470391 0.79 ATM (0.44) NR3C1NR3C2CES1GAAALDH1A1
SCHEMBL1492561 0.79 CES1 (0.39) CES1GAAALDH1A1FAAHHPGD
SCHEMBL1492567 0.79 HDAC6 (0.40) NR3C1NR3C2PGRALDH1A1HPGD
SCHEMBL1492570 0.79 NR3C1 (0.42) NR3C1CES1ALDH1A1CYP3A4MEN1
SCHEMBL20110930 0.79 GABRA1 (0.37) NR3C1NR3C2PGRGAAKDM4E
SCHEMBL1954949 0.78 CES1 (0.38) CES1GAAALDH1A1ATMFAAH
SCHEMBL15853347 0.76 GABRA1 (0.35) NR3C1NR3C2PGRGAAKDM4E

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.