SCHEMBL4352959

SCHEMBL4352959

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.40
HPGD P15428 2/20 0.36
HTT P42858 3/20 0.34
KMT2A Q03164 3/20 0.34
MAPT P10636 2/20 0.34
MEN1 O00255 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
P2RX1 P51575 1/20 0.34
P2RX4 Q99571 1/20 0.34
P2RX7 Q99572 1/20 0.34
TMPRSS4 Q9NRS4 1/20 0.34
ALDH1A1 P00352 1/20 0.33
TP53 P04637 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
KLKB1 P03952 1/20 0.33
MAPK1 P28482 1/20 0.33
TAS1R3 Q7RTX0 2/20 0.32
TAS1R1 Q7RTX1 2/20 0.32
TAS1R2 Q8TE23 2/20 0.32
EGFR P00533 2/20 0.32

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) POLBHPGDHTTKMT2AMAPT
SCHEMBL4358520 0.82 AKR1C4 (0.36) POLBHPGDHTTKMT2AMAPT
SCHEMBL21246831 0.78 POLB (0.54) POLBHTTKMT2AP2RX1P2RX4
SCHEMBL4357522 0.78 POLB (0.33) POLBHPGDHTTMAPTSMN1; SMN2
SCHEMBL4345693 0.77 POLB (0.37) POLBHPGDHTTKMT2AMAPT
SCHEMBL4352229 0.77 POLB (0.38) POLBHPGDHTTKMT2AMAPT
SCHEMBL4345666 0.77 POLB (0.38) POLBHPGDHTTKMT2AMAPT
SCHEMBL4359261 0.75 KMT2A (0.54) POLBHTTKMT2AMAPTMEN1
SCHEMBL4342228 0.74 CA2 (0.42) POLBHPGDHTTKMT2AMAPT
SCHEMBL4341634 0.74 ALDH1A1 (0.40) POLBHPGDSMN1; SMN2ALDH1A1KLKB1

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 3571/4885HPGD 3561/4885HTT 3824/4885
US-20070054904-A1 Phenol derivatives and their use as rotamase inhibitors NR1I3, NR1D1, NR1D2 POLB 2402/4885HPGD 3127/4885HTT 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.