SCHEMBL2331360

SCHEMBL2331360

O=S(=O)(c1cccc(C(F)(F)F)c1)N(c1ccc2c(c1)nc(-c1ccccc1)n2-c1ccccc1)S(=O)(=O)c1cccc(C(F)(F)F)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 2/20 0.43
SIRT1 Q96EB6 2/20 0.43
NR1H2 P55055 1/20 0.42
NR1H3 Q13133 1/20 0.42
LRRK2 Q5S007 1/20 0.41
KMT2A Q03164 3/20 0.40
HTT P42858 1/20 0.40
GSR P00390 3/20 0.39
PTGS2 P35354 3/20 0.39
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.39
GBA1 P04062 1/20 0.38
MEN1 O00255 2/20 0.38
POLB P06746 1/20 0.38
PTPN2 P17706 1/20 0.38
PTPN1 P18031 1/20 0.38
PTPN5 P54829 1/20 0.38
MAP3K7 O43318 1/20 0.38
IRAK1 P51617 1/20 0.38
IRAK4 Q9NWZ3 1/20 0.38

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
SCHEMBL2333148 0.88 SIRT2 (0.47) SIRT2SIRT1NR1H2NR1H3KMT2A
SCHEMBL2329183 0.86 SIRT2 (0.46) SIRT2SIRT1NR1H2NR1H3KMT2A
SCHEMBL2331148 0.85 PTGS2 (0.44) SIRT2SIRT1NR1H2NR1H3KMT2A
SCHEMBL4588945 0.82 NR1H2 (0.43) SIRT2SIRT1NR1H2NR1H3PTGS2
SCHEMBL2330847 0.81 SIRT2 (0.50) SIRT2SIRT1NR1H2NR1H3KMT2A
SCHEMBL2326870 0.81 SIRT2 (0.44) SIRT2SIRT1KMT2APTGS2MEN1
SCHEMBL2329102 0.78 SIRT2 (0.46) SIRT2SIRT1HTTPTGS2
SCHEMBL8011141 0.74 GSR (0.55) KMT2AHTTGSRMEN1
SCHEMBL2330571 0.73 SIRT2 (0.52) SIRT2SIRT1KMT2APTGS2MEN1
SCHEMBL2327103 0.73 KEAP1 (0.41) SIRT2SIRT1

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
EP-1246808-B1 1,2-DIARYL BENZIMIDAZOLES FOR TREATING ILLNESSES ASSOCIATED WITH A MICROGLIA ACTIVATION BAYER SCHERING PHARMA AG (DE) 2011-08-17 EP disclosed
US-7345075-B2 6-[(1,2-diphenyl-1H-benzimidazol-6-yl)oxy]hexanoic acid isopropyl ester; antiinflammatory agents; microglia activators; neurodegenerative diseases SCHERING AKTIENGESELLSCHAFT (DE) 2008-03-18 US disclosed
US-7115645-B2 1,2 diarylbenzimidazoles and their pharmaceutical use SCHERING AKTIENGESELLSCHAFT (DE) 2006-10-03 US disclosed
US-20060205803-A1 1,2 Diarylbenzimidazoles and their pharmaceutical use SCHERING AKTIENGESELLSCHAFT (DE) 2006-09-14 US disclosed
US-20020006948-A1 1,2 diarylbenzimdazoles and their pharmaceutical use SCHERING AG 2002-01-17 US 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-20020006948-A1 1,2 diarylbenzimdazoles and their pharmaceutical use CYP2E1, CYP1B1, CYP1A1 SIRT2 1457/4885SIRT1 1514/4885NR1H2 1249/4885
US-20060205803-A1 1,2 Diarylbenzimidazoles and their pharmaceutical use ATP6V1B2, IL1B, GMFG SIRT2 739/4885SIRT1 1022/4885NR1H2 1307/4885

“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.