SCHEMBL1863647

SCHEMBL1863647

CN(C(=O)c1ccc(NC(=O)NCC2CC2)cc1)C1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 1/20 0.54
KDM4E B2RXH2 1/20 0.53
PKM P14618 1/20 0.53
BRD4 O60885 1/20 0.52
GPR119 Q8TDV5 14/20 0.51
FPR3 P25089 1/20 0.49
FPR2 P25090 1/20 0.49
PTPN2 P17706 1/20 0.48
PTPN1 P18031 1/20 0.48
PTPN6 P29350 1/20 0.48
ABL1 P00519 1/20 0.48
RIN1 Q13671 1/20 0.48

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
SCHEMBL1868240 0.94 USP30 (0.62) USP30KDM4EPKMBRD4GPR119
SCHEMBL1864290 0.86 BRD4 (0.52) BRD4ABL1RIN1
SCHEMBL10055085 0.84 EPHX2 (0.62) KDM4EPKMBRD4FPR3FPR2
SCHEMBL1868037 0.80 BRD4 (0.55) KDM4EPKMBRD4GPR119FPR3
SCHEMBL19145079 0.80 USP30 (0.60) USP30GPR119
SCHEMBL17572993 0.79 USP30 (0.67) USP30GPR119
SCHEMBL28628584 0.79 USP30 (0.67) USP30GPR119
SCHEMBL1512646 0.79 EPHX2 (0.56) KDM4EPKMBRD4FPR3FPR2
SCHEMBL1869089 0.78 NPC1 (0.52) KDM4EBRD4FPR3FPR2ABL1
SCHEMBL28632797 0.78 MEN1 (0.67) USP30GPR119

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 11 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
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
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 USP30 2170/4885KDM4E 2324/4885PKM 516/4885

“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.