SCHEMBL1869807

SCHEMBL1869807

CC(C)(C)OC(=O)N1CCC(=Cc2cc(F)c([N+](=O)[O-])cc2F)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.45
ALDH1A1 P00352 3/20 0.45
LMNA P02545 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.43
MEN1 O00255 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
KMT2A Q03164 1/20 0.42
GPR174 Q9BXC1 4/20 0.41
ESR2 Q92731 1/20 0.40
NR1H2 P55055 1/20 0.40
MET P08581 1/20 0.39
GRM5 P41594 1/20 0.39
KCNH2 Q12809 1/20 0.38
DPP4 P27487 1/20 0.38
CASP3 P42574 1/20 0.37
USP14 P54578 1/20 0.37
UCHL5 Q9Y5K5 1/20 0.37
GPR119 Q8TDV5 3/20 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
SCHEMBL7260647 0.90 MAPT (0.42) MAPTALDH1A1LMNASMN1; SMN2MEN1
SCHEMBL1870418 0.90 MAPT (0.42) MAPTALDH1A1LMNASMN1; SMN2MEN1
SCHEMBL7256007 0.88 MAPT (0.41) MAPTALDH1A1LMNASMN1; SMN2MEN1
SCHEMBL28465448 0.88 MAPT (0.45) MAPTALDH1A1LMNASMN1; SMN2MEN1
SCHEMBL26203186 0.86 CASP3 (0.51) MAPTALDH1A1LMNASMN1; SMN2MEN1
SCHEMBL1866955 0.86 MAPT (0.45) MAPTALDH1A1LMNASMN1; SMN2MEN1
SCHEMBL29716002 0.86 CASP3 (0.51) MAPTALDH1A1LMNASMN1; SMN2MEN1
SCHEMBL20971751 0.84 ALDH1A1 (0.54) MAPTALDH1A1LMNAKMT2AESR2
SCHEMBL1865742 0.83 SRD5A2 (0.41) MAPTALDH1A1LMNASMN1; SMN2MEN1
SCHEMBL22556778 0.82 MAPT (0.43) MAPTALDH1A1LMNASMN1; SMN2MEN1

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-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
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 MAPT 2944/4885ALDH1A1 220/4885LMNA 972/4885

“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.