SCHEMBL948598

SCHEMBL948598

CC(C)(C)OC(=O)n1c(S(=O)(=O)CCC(=O)O)c(Cl)c2cc(Cl)ccc21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 2/20 0.37
NR1H3 Q13133 1/20 0.37
PLA2G4A P47712 1/20 0.35
APEX1 P27695 1/20 0.35
GABRG2 P18507 2/20 0.35
GABRB3 P28472 2/20 0.35
GABRA5 P31644 2/20 0.35
GABRA1 P14867 1/20 0.35
OXER1 Q8TDS5 1/20 0.35
AKR1C3 P42330 3/20 0.34
AKR1C2 P52895 3/20 0.34
PTGS1 P23219 2/20 0.34
AKR1C4 P17516 2/20 0.34
AKR1C1 Q04828 2/20 0.34
AR P10275 1/20 0.34
KMO O15229 1/20 0.34
STS P08842 1/20 0.34
PPARG P37231 2/20 0.33
PPARA Q07869 2/20 0.33
ALDH1A1 P00352 2/20 0.33

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
SCHEMBL948799 0.91 AKR1C3 (0.40) NR1H2NR1H3PLA2G4AAPEX1GABRG2
SCHEMBL951206 0.85 MDM2 (0.37) NR1H2NR1H3PLA2G4AOXER1AKR1C3
SCHEMBL947384 0.85 AKR1C3 (0.39) NR1H2NR1H3PLA2G4AOXER1AKR1C3
SCHEMBL950797 0.85 ALDH1A1 (0.35) NR1H2GABRG2GABRB3GABRA5GABRA1
SCHEMBL947189 0.82 NR1H2 (0.42) NR1H2NR1H3OXER1KMOPPARG
SCHEMBL5441049 0.76 MEN1 (0.35) GABRG2GABRB3GABRA5GABRA1AKR1C3
SCHEMBL950083 0.73 F10 (0.61)
SCHEMBL949818 0.72 MDM2 (0.34) ALDH1A1L3MBTL1
SCHEMBL21731846 0.70 GABRG2 (0.41) GABRG2GABRB3GABRA5GABRA1AKR1C3
SCHEMBL31666014 0.70 GABRG2 (0.41) GABRG2GABRB3GABRA5GABRA1AKR1C3

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 NR1H2 67/4885NR1H3 102/4885PLA2G4A 4307/4885
US-20110009389-A1 IMIDAZOLE DERIVATIVE, THEIR PRODUCTION AND USE F2, H1-3, CYC1 NR1H2 50/4885NR1H3 76/4885PLA2G4A 4362/4885

“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.