SCHEMBL4588945

SCHEMBL4588945

O=S(=O)(c1ccccc1C(F)(F)F)N(c1ccc2c(c1)nc(-c1ccccc1)n2-c1ccccc1)S(=O)(=O)c1ccccc1C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.43
NR1H3 Q13133 1/20 0.43
SIRT2 Q8IXJ6 2/20 0.42
SIRT1 Q96EB6 2/20 0.42
ESR1 P03372 1/20 0.38
ESR2 Q92731 1/20 0.38
CNR1 P21554 2/20 0.36
CNR2 P34972 2/20 0.36
PTPN2 P17706 1/20 0.36
PTPN1 P18031 1/20 0.36
PTPN5 P54829 1/20 0.36
SLC22A12 Q96S37 1/20 0.35
GBA1 P04062 1/20 0.35
PTGS2 P35354 3/20 0.35
HSD11B1 P28845 1/20 0.35
HCAR1 Q9BXC0 1/20 0.34
PTGER4 P35408 1/20 0.34
HSD17B10 Q99714 1/20 0.34
PTGS1 P23219 1/20 0.34
HDAC1 Q13547 1/20 0.34

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 0.82 SIRT2 (0.47) NR1H2NR1H3SIRT2SIRT1ESR1
SCHEMBL2331360 0.82 SIRT2 (0.43) NR1H2NR1H3SIRT2SIRT1PTPN2
SCHEMBL2330847 0.79 SIRT2 (0.50) NR1H2NR1H3SIRT2SIRT1ESR1
SCHEMBL2326870 0.78 SIRT2 (0.44) SIRT2SIRT1ESR1ESR2PTGS2
SCHEMBL2329183 0.77 SIRT2 (0.46) NR1H2NR1H3SIRT2SIRT1ESR1
SCHEMBL2331148 0.76 PTGS2 (0.44) NR1H2NR1H3SIRT2SIRT1ESR1
SCHEMBL2329102 0.76 SIRT2 (0.46) SIRT2SIRT1PTGS2HDAC1HDAC8
SCHEMBL2330571 0.74 SIRT2 (0.52) SIRT2SIRT1ESR1ESR2PTGS2
SCHEMBL4588933 0.69 MAPT (0.50) PTPN2PTPN1PTPN5
SCHEMBL23384636 0.69 SIRT2 (0.47) SIRT2SIRT1ESR1ESR2HCAR1

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-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 NR1H2 1249/4885NR1H3 1375/4885SIRT2 1457/4885
US-20060205803-A1 1,2 Diarylbenzimidazoles and their pharmaceutical use ATP6V1B2, IL1B, GMFG NR1H2 1307/4885NR1H3 1683/4885SIRT2 739/4885

“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.