SCHEMBL1492582

SCHEMBL1492582

CC(C)(CC(=O)C(F)(F)F)c1cccc(F)c1S(C)(=O)=O

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2C P18825 1/20 0.33
ADRA1D P25100 1/20 0.33
ADRA1A P35348 1/20 0.33
ADRA1B P35368 1/20 0.33
KAT6A Q92794 1/20 0.33
KEAP1 Q14145 1/20 0.32
CES1 P23141 1/20 0.32
CYP2C19 P33261 1/20 0.32
HIF1A Q16665 1/20 0.32
RIPK1 Q13546 1/20 0.32
SLC22A12 Q96S37 1/20 0.31
PKM P14618 1/20 0.31
PKLR P30613 1/20 0.31
EPHX2 P34913 1/20 0.31
HSD11B1 P28845 2/20 0.31
PTGS2 P35354 1/20 0.31
HTT P42858 1/20 0.31
DDR1 Q08345 1/20 0.31
NR1H2 P55055 2/20 0.30
NR1H3 Q13133 2/20 0.30

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
SCHEMBL1492570 0.80 NR3C1 (0.42) CES1HSD11B1
SCHEMBL1492619 0.76 KCNN4 (0.35) CES1RIPK1PTGS2
SCHEMBL18897466 0.75 PKM (0.40) ADRA2CADRA1DADRA1AADRA1BKEAP1
SCHEMBL27833396 0.75 ADRA2C (0.33) ADRA2CADRA1DADRA1AADRA1BKAT6A
SCHEMBL1492560 0.73 DDR1 (0.40) ADRA1DADRA1AADRA1BPTGS2DDR1
SCHEMBL1492525 0.73 DDR1 (0.40) ADRA2CADRA1DADRA1AADRA1BDDR1
SCHEMBL1492545 0.73 NR3C1 (0.37) HSD11B1
SCHEMBL1492575 0.71 NR3C1 (0.42) CES1CYP2C19HIF1A
SCHEMBL1492562 0.70 CA1 (0.41) CES1CYP2C19RIPK1HTT
SCHEMBL1492617 0.69 CCR2 (0.40) ADRA1DADRA1AADRA1BEPHX2HSD11B1

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 ADRA2C 347/4885ADRA1D 252/4885ADRA1A 256/4885

“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.