SCHEMBL4350397

SCHEMBL4350397

CC(C)(C)CC(C)(C)NC(=O)N(S)c1cc(Br)cc(F)c1O

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.34
ALDH1A1 P00352 1/20 0.31
TP53 P04637 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
HTT P42858 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
KDM4E B2RXH2 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 0.81 POLB (0.40) POLBALDH1A1TP53MAPTHPGD
SCHEMBL4351219 0.80 POLB (0.38) POLBALDH1A1TP53MAPTHPGD
SCHEMBL4352229 0.79 POLB (0.38) POLBALDH1A1TP53MAPTHPGD
SCHEMBL4357522 0.77 POLB (0.33) POLBALDH1A1TP53MAPTHPGD
SCHEMBL4355874 0.76 POLB (0.37) POLBALDH1A1TP53MAPTHPGD
SCHEMBL21262547 0.76 POLB (0.43) POLBALDH1A1MAPTHTTKDM4E
SCHEMBL4358520 0.76 AKR1C4 (0.36) POLBALDH1A1TP53MAPTHPGD
SCHEMBL4351731 0.75 PTGES (0.36) ALDH1A1KDM4E
SCHEMBL4343991 0.74 HTT (0.40) POLBALDH1A1TP53MAPTHPGD
SCHEMBL4351873 0.73 POLB (0.38) POLBALDH1A1TP53MAPTHPGD

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-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
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 3571/4885ALDH1A1 2565/4885TP53 4868/4885
US-20070054904-A1 Phenol derivatives and their use as rotamase inhibitors NR1I3, NR1D1, NR1D2 POLB 2402/4885ALDH1A1 2767/4885TP53 4551/4885

“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.