SCHEMBL948833

SCHEMBL948833

CC(C)(C)OC(=O)CCS(=O)(=O)c1ccc2cc(C#N)ccc2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.42
KDM4E B2RXH2 1/20 0.42
HPGD P15428 1/20 0.42
HTT P42858 4/20 0.41
KMT2A Q03164 2/20 0.40
PTGDR2 Q9Y5Y4 2/20 0.39
ALK Q9UM73 1/20 0.39
GAA P10253 2/20 0.38
ABCB1 P08183 1/20 0.38
MEN1 O00255 1/20 0.37
LMNA P02545 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
SCN9A Q15858 1/20 0.37
NPSR1 Q6W5P4 1/20 0.36
KAT6A Q92794 1/20 0.36
F2 P00734 1/20 0.36
PLG P00747 1/20 0.36
PLAU P00749 1/20 0.36
KLKB1 P03952 1/20 0.36
PRSS1 P07477 1/20 0.36

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
SCHEMBL947274 0.81 ALDH1A1 (0.44) ALDH1A1KDM4EHPGDHTTKMT2A
SCHEMBL947223 0.81 ALDH1A1 (0.52) ALDH1A1KDM4EHPGDHTTPTGDR2
SCHEMBL948736 0.81 ALDH1A1 (0.43) ALDH1A1KDM4EHPGDHTTKMT2A
SCHEMBL948343 0.80 ALDH1A1 (0.43) ALDH1A1KDM4EHPGDHTTKMT2A
SCHEMBL950589 0.80 ALDH1A1 (0.44) ALDH1A1KDM4EHPGDHTTKMT2A
SCHEMBL947442 0.79 ALDH1A1 (0.42) ALDH1A1KDM4EHPGDHTTKMT2A
SCHEMBL7869912 0.76 HTT (0.57) ALDH1A1HTTKMT2AGAAMEN1
SCHEMBL7866998 0.75 LMNA (0.48) ALDH1A1HTTKMT2AGAAMEN1
SCHEMBL7868885 0.75 KMT2A (0.57) ALDH1A1KMT2AGAALMNA
SCHEMBL12129767 0.73 HSD11B1 (0.42) ABCB1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110009389-A1 IMIDAZOLE DERIVATIVE, THEIR PRODUCTION AND USE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-01-13 US disclosed
US-20070004736-A1 Imidazole derivative, process for producing the same, and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-01-04 US disclosed
EP-1564213-A1 IMIDAZOLE DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND USE Takeda Pharmaceutical Company Limited (JP) 2005-08-17 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-20070004736-A1 Imidazole derivative, process for producing the same, and use HRH4, F2, HRH2 ALDH1A1 2246/4885KDM4E 1356/4885HPGD 356/4885
US-20110009389-A1 IMIDAZOLE DERIVATIVE, THEIR PRODUCTION AND USE F2, H1-3, CYC1 ALDH1A1 2316/4885KDM4E 1558/4885HPGD 248/4885

“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.