SCHEMBL1870574

SCHEMBL1870574

Nc1ccc2ncn(C3CCN(C(=O)O)CC3)c2c1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DDB1 Q16531 2/20 0.50
CRBN Q96SW2 2/20 0.50
IKZF3 Q9UKT9 2/20 0.50
GAA P10253 3/20 0.45
HSD17B10 Q99714 1/20 0.45
USP2 O75604 2/20 0.45
FPR2 P25090 1/20 0.42
KMT2A Q03164 2/20 0.42
ALDH1A1 P00352 4/20 0.41
NPC1 O15118 2/20 0.40
RAB9A P51151 1/20 0.40
HPGD P15428 4/20 0.39
HCAR1 Q9BXC0 1/20 0.39
DRD2 P14416 1/20 0.39
SLC6A4 P31645 1/20 0.39
MEN1 O00255 1/20 0.39
MGLL Q99685 1/20 0.38

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
SCHEMBL1868756 0.91 GAA (0.52) DDB1CRBNIKZF3GAAHSD17B10
SCHEMBL29190582 0.83 DDB1 (0.58) DDB1CRBNIKZF3GAAHSD17B10
SCHEMBL3353454 0.81 DDB1 (0.51) DDB1CRBNIKZF3GAAHSD17B10
SCHEMBL1834469 0.81 USP2 (0.63) DDB1CRBNIKZF3GAAHSD17B10
SCHEMBL12075903 0.81 FGFR1 (0.48) GAAHSD17B10USP2KMT2AALDH1A1
SCHEMBL12075901 0.81 FGFR1 (0.48) GAAHSD17B10USP2KMT2AALDH1A1
SCHEMBL7025961 0.81 DDB1 (0.56) DDB1CRBNIKZF3GAAHSD17B10
SCHEMBL3356346 0.79 DDB1 (0.49) DDB1CRBNIKZF3GAAHSD17B10
SCHEMBL1397013 0.77 GAA (0.42) GAAHSD17B10USP2FPR2KMT2A
SCHEMBL1868695 0.77 DDB1 (0.55) DDB1CRBNIKZF3KMT2AALDH1A1

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 DDB1 3400/4885CRBN 3351/4885IKZF3 4533/4885

“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.