SCHEMBL1865701

SCHEMBL1865701

Nc1cc(Cl)c(CC2CCN(Cc3ccc(C(O)(C(F)(F)F)C(F)(F)F)cc3)CC2)cc1F

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RORC P51449 7/20 0.48
CCR2 P41597 1/20 0.40
PPARG P37231 1/20 0.40
HIF1A Q16665 1/20 0.38
EPAS1 Q99814 1/20 0.38
ALDH1A1 P00352 2/20 0.38
HTR4 Q13639 1/20 0.37
ACHE P22303 1/20 0.37
ATM Q13315 2/20 0.37
GAA P10253 1/20 0.36
CCR3 P51677 1/20 0.36

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
SCHEMBL1874306 0.92 RORC (0.49) RORCCCR2PPARGHIF1AEPAS1
SCHEMBL1869552 0.85 RORC (0.51) RORCCCR2PPARGHIF1AEPAS1
SCHEMBL1864176 0.83 RORC (0.51) RORCCCR2PPARGHIF1AEPAS1
SCHEMBL1871679 0.80 RORC (0.42) RORCHIF1AEPAS1CCR3
SCHEMBL1863758 0.79 RORC (0.52) RORCPPARGHIF1AEPAS1ALDH1A1
SCHEMBL1866119 0.78 RORC (0.47) RORCCCR2PPARGHIF1AEPAS1
SCHEMBL1866780 0.77 RORC (0.48) RORCPPARGHIF1AEPAS1ALDH1A1
SCHEMBL2476108 0.77 RORC (0.55) RORCPPARGALDH1A1
SCHEMBL1872502 0.73 RORC (0.46) RORCPPARG
SCHEMBL1865747 0.73 RORC (0.45) RORCHIF1AEPAS1CCR3

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 4 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
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
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 RORC 1561/4885CCR2 398/4885PPARG 173/4885

“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.