SCHEMBL4352229

SCHEMBL4352229

CC(C)(C)CC(C)(C)NC(=O)N(S)c1ccc(F)c(F)c1O

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.38
MAPT P10636 2/20 0.33
HTT P42858 2/20 0.33
ALDH1A1 P00352 1/20 0.33
TP53 P04637 1/20 0.33
HPGD P15428 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
ANO1 Q5XXA6 3/20 0.33
EPHX2 P34913 1/20 0.30
RIPK1 Q13546 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL4358609 0.85 POLB (0.40) POLBMAPTHTTALDH1A1TP53
SCHEMBL4351219 0.79 POLB (0.38) POLBMAPTHTTALDH1A1TP53
SCHEMBL4350397 0.79 POLB (0.34) POLBMAPTHTTALDH1A1TP53
SCHEMBL4352959 0.77 POLB (0.40) POLBMAPTHTTALDH1A1TP53
SCHEMBL4348736 0.76 POLB (0.39) POLBMAPTHTTALDH1A1TP53
SCHEMBL21246848 0.75 POLB (0.50) POLBMAPTHTTALDH1A1TP53
SCHEMBL6568647 0.75 HTT (0.41) POLBMAPTHTTALDH1A1TP53
SCHEMBL4345666 0.74 POLB (0.38) POLBMAPTHTTALDH1A1TP53
SCHEMBL4351873 0.74 POLB (0.38) POLBMAPTHTTALDH1A1TP53
SCHEMBL4358520 0.74 AKR1C4 (0.36) POLBMAPTHTTALDH1A1TP53

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-20110065760-A1 COMPOUNDS FOR THE INHIBITION OF ROTAMASES AND USE THEREOF JERINI AG (DE) 2011-03-17 US claimed
EP-2100876-A2 New compounds for the inhibition of rotamases and use thereof Jerini AG (DE) 2009-09-16 EP claimed
US-20070054904-A1 Phenol derivatives and their use as rotamase inhibitors JERINI AG (DE) 2007-03-08 US claimed
WO-2004030664-A2 NEW COMPOUNDS FOR THE INHIBITION OF UNDESIRED CELL PROLIFERATION AND USE THEREOF JERINI AG (DE) 2004-04-15 WO claimed
EP-2100876-A2 New compounds for the inhibition of rotamases and use thereof Jerini AG (DE) 2009-09-16 EP 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 (2 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-20110065760-A1 COMPOUNDS FOR THE INHIBITION OF ROTAMASES AND USE THEREOF NR1I3, NR1D1, NR1D2 POLB 3571/4885MAPT 4439/4885HTT 3824/4885
US-20070054904-A1 Phenol derivatives and their use as rotamase inhibitors NR1I3, NR1D1, NR1D2 POLB 2402/4885MAPT 4184/4885HTT 3995/4885

“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.