SCHEMBL1492595

SCHEMBL1492595

CC(C)(CC(=O)C(F)(F)F)c1ccc(Cl)cc1S(C)(=O)=O

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.39
CCR2 P41597 5/20 0.38
HTT P42858 1/20 0.36
DDR1 Q08345 6/20 0.36
ADRA1D P25100 1/20 0.36
ALDH1A1 P00352 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.35
NR3C1 P04150 1/20 0.35
CYP3A4 P08684 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
SCHEMBL1492617 0.89 CCR2 (0.40) EPHX2CCR2DDR1ADRA1DALDH1A1
SCHEMBL1492560 0.84 DDR1 (0.40) CCR2DDR1ADRA1DNR3C1CYP3A4
SCHEMBL1492570 0.80 NR3C1 (0.42) ALDH1A1NR3C1CYP3A4
SCHEMBL4421863 0.78 NR3C1 (0.44) EPHX2HTTALDH1A1L3MBTL1PTGDR2
SCHEMBL4421860 0.78 NR3C1 (0.44) EPHX2HTTALDH1A1L3MBTL1PTGDR2
SCHEMBL1492571 0.78 CCR2 (0.36) CCR2HTTADRA1DALDH1A1L3MBTL1
SCHEMBL28099680 0.77 CCR2 (0.51) CCR2HTTDDR1
SCHEMBL1492525 0.76 DDR1 (0.40) CCR2DDR1ADRA1DNR3C1CYP3A4
SCHEMBL1492541 0.75 CCR2 (0.38) CCR2HTTADRA1DALDH1A1L3MBTL1
SCHEMBL27833398 0.74 EPHX2 (0.36) EPHX2CCR2HTTDDR1ADRA1D

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 EPHX2 852/4885CCR2 309/4885HTT 1940/4885

“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.