SCHEMBL1492525

SCHEMBL1492525

CC(C)(CC(=O)C(F)(F)F)c1cc(F)ccc1S(C)(=O)=O

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DDR1 Q08345 5/20 0.40
PLOD2 O00469 1/20 0.36
CCR2 P41597 1/20 0.34
CYP3A4 P08684 3/20 0.34
NR3C1 P04150 3/20 0.34
NTRK1 P04629 1/20 0.34
CACNA1B Q00975 3/20 0.33
ADRA1D P25100 2/20 0.33
ADRA1A P35348 2/20 0.33
ADRA1B P35368 2/20 0.33
NR1I2 O75469 1/20 0.33
ADRA2A P08913 1/20 0.33
ADRA2C P18825 1/20 0.33
PIK3CD O00329 1/20 0.33
PIK3CA P42336 1/20 0.33
PIK3CB P42338 1/20 0.33
PIK3CG P48736 1/20 0.33

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
SCHEMBL1492560 0.89 DDR1 (0.40) DDR1PLOD2CCR2CYP3A4NR3C1
SCHEMBL1492617 0.84 CCR2 (0.40) DDR1CCR2ADRA1DADRA1AADRA1B
SCHEMBL379406 0.81 NR3C1 (0.48) PLOD2CYP3A4NR3C1
SCHEMBL1492570 0.81 NR3C1 (0.42) CYP3A4NR3C1
SCHEMBL10313445 0.81 NR3C1 (0.44) PLOD2NR3C1
SCHEMBL1492523 0.79 PLOD2 (0.38) PLOD2NR3C1
SCHEMBL1492567 0.78 HDAC6 (0.40) PLOD2NR3C1
SCHEMBL1492607 0.77 NR3C2 (0.53) NR3C1
SCHEMBL1492624 0.77 DDR1 (0.39) DDR1PLOD2NR3C1
SCHEMBL1492608 0.77 PLOD2 (0.38) PLOD2NR3C1

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 DDR1 1723/4885PLOD2 3974/4885CCR2 309/4885

“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.