SCHEMBL1870066

SCHEMBL1870066

CC(C)(CNC(=O)Nc1ccc(CC2CCN(Cc3ccc(C(O)(C(F)(F)F)C(F)(F)F)cc3)CC2)cc1F)C(N)=O

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 4/20 0.44
RORC P51449 2/20 0.43
KMT2A Q03164 4/20 0.43
MEN1 O00255 3/20 0.43
LMNA P02545 2/20 0.43
TP53 P04637 1/20 0.42
MAPT P10636 1/20 0.42
HIF1A Q16665 1/20 0.42
EPAS1 Q99814 1/20 0.42
CCR3 P51677 5/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
P2RY1 P47900 1/20 0.39

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
SCHEMBL1867880 0.92 RORC (0.45) EPHX2RORCKMT2AMEN1LMNA
SCHEMBL1868043 0.91 RORC (0.46) EPHX2RORCKMT2AMEN1LMNA
SCHEMBL1871190 0.91 RORC (0.46) EPHX2RORCKMT2AMEN1LMNA
SCHEMBL1870421 0.91 RORC (0.44) EPHX2RORCKMT2AMEN1LMNA
SCHEMBL17010815 0.91 RORC (0.46) EPHX2RORCKMT2AMEN1LMNA
SCHEMBL1874797 0.89 KMT2A (0.43) EPHX2RORCKMT2AMEN1LMNA
SCHEMBL12273232 0.89 RORC (0.44) EPHX2RORCKMT2AMEN1LMNA
SCHEMBL12275090 0.89 RORC (0.42) EPHX2RORCKMT2AMEN1LMNA
SCHEMBL12275590 0.88 RORC (0.43) EPHX2RORCKMT2AMEN1LMNA
SCHEMBL1873568 0.86 CCR3 (0.45) EPHX2RORCKMT2AMEN1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9108939-B2 (1, 1, 1,3,3,3-hexafluoro-2 hydroxypropan-2-yl) phenyl derivative, pharmaceutical compositions thereof and their use for the treatment of atherosclerosis MERCK SHARP & DOHME B.V. (NL) 2015-08-18 US disclosed
US-9108939-B2 (1, 1, 1,3,3,3-hexafluoro-2 hydroxypropan-2-yl) phenyl derivative, pharmaceutical compositions thereof and their use for the treatment of atherosclerosis MERCK SHARP & DOHME B.V. (NL) 2015-08-18 US disclosed
US-9108939-B2 (1, 1, 1,3,3,3-hexafluoro-2 hydroxypropan-2-yl) phenyl derivative, pharmaceutical compositions thereof and their use for the treatment of atherosclerosis MERCK SHARP & DOHME B.V. (NL) 2015-08-18 US disclosed
EP-2493855-B1 (1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl derivatives, pharmaceutical compositions thereof and their use for the treatment of atherosclerosis MERCK SHARP & DOHME (NL) 2014-02-26 EP disclosed
US-20120238574-A1 (1, 1, 1,3,3,3 -HEXAFLUORO-2 HYDROXYPROPAN- 2 -YL) PHENYL DERIVATIVE, PHARMACEUTICAL COMPOSITIONS THEREOF AND THEIR USE FOR THE TREATMENT OF ATHEROSCLEROSIS N.V. ORGANON (NL) 2012-09-20 US disclosed
US-20120238574-A1 (1, 1, 1,3,3,3 -HEXAFLUORO-2 HYDROXYPROPAN- 2 -YL) PHENYL DERIVATIVE, PHARMACEUTICAL COMPOSITIONS THEREOF AND THEIR USE FOR THE TREATMENT OF ATHEROSCLEROSIS N.V. ORGANON (NL) 2012-09-20 US disclosed
US-20120238574-A1 (1, 1, 1,3,3,3 -HEXAFLUORO-2 HYDROXYPROPAN- 2 -YL) PHENYL DERIVATIVE, PHARMACEUTICAL COMPOSITIONS THEREOF AND THEIR USE FOR THE TREATMENT OF ATHEROSCLEROSIS N.V. ORGANON (NL) 2012-09-20 US disclosed
EP-2493855-A1 (1,1, 1,3, 3, 3-HEXAFLUORO-2-HYDROXYPROPAN-2-YL) PHENYL DERIVATIVES, PHARMACEUTICAL COMPOSITIONS THEREOF AND THEIR USE FOR THE TREATMENT OF ATHEROSCLEROSIS MSD Oss B.V. (NL) 2012-09-05 EP disclosed
WO-2011051282-A1 (1,1, 1,3, 3, 3-HEXAFLUORO-2-HYDROXYPROPAN-2-YL) PHENYL DERIVATIVES, PHARMACEUTICAL COMPOSITIONS THEREOF AND THEIR USE FOR THE TREATMENT OF ATHEROSCLEROSIS N.V. ORGANON (NL) 2011-05-05 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-20120238574-A1 (1, 1, 1,3,3,3 -HEXAFLUORO-2 HYDROXYPROPAN- 2 -YL) PHENYL DERIVATIVE, PHARMACEUTICAL COMPOSITIONS THEREOF AND THEIR USE FOR THE TREATMENT OF ATHEROSCLEROSIS TGFB1, FPR1, TGFB2 EPHX2 728/4885RORC 1561/4885KMT2A 4138/4885

“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.