SCHEMBL4358609

SCHEMBL4358609

CC(C)(C)CC(C)(C)NC(=O)N(S)c1cccc(F)c1O

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.40
ANO1 Q5XXA6 4/20 0.37
HTT P42858 3/20 0.34
MAPT P10636 3/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ALDH1A1 P00352 1/20 0.33
TP53 P04637 1/20 0.33
HPGD P15428 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
ALB P02768 1/20 0.33
P2RX1 P51575 1/20 0.32
P2RX7 Q99572 1/20 0.32
USP2 O75604 1/20 0.30
BRCA1 P38398 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
SCHEMBL4352229 0.85 POLB (0.38) POLBANO1HTTMAPTMEN1
SCHEMBL4352959 0.85 POLB (0.40) POLBHTTMAPTMEN1KMT2A
SCHEMBL4350397 0.81 POLB (0.34) POLBHTTMAPTALDH1A1TP53
SCHEMBL4351219 0.79 POLB (0.38) POLBHTTMAPTMEN1KMT2A
SCHEMBL6683265 0.76 RAB9A (0.44) POLBMAPTMEN1KMT2ASMN1; SMN2
SCHEMBL4342367 0.75 HTT (0.47) POLBANO1HTTMAPTMEN1
SCHEMBL4351873 0.74 POLB (0.38) POLBHTTMAPTMEN1KMT2A
SCHEMBL4345666 0.74 POLB (0.38) POLBANO1HTTMAPTMEN1
SCHEMBL4352149 0.74 ERN1 (0.38) POLBHTTALDH1A1TP53HPGD
SCHEMBL4348736 0.74 POLB (0.39) POLBHTTMAPTMEN1KMT2A

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 3571/4885ANO1 4124/4885HTT 3824/4885
US-20070054904-A1 Phenol derivatives and their use as rotamase inhibitors NR1I3, NR1D1, NR1D2 POLB 2402/4885ANO1 4762/4885HTT 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.