SCHEMBL951206

SCHEMBL951206

CC(=O)N(C)Cc1c(S(=O)(=O)CCC(=O)O)n(C(=O)OC(C)(C)C)c2ccc(Cl)cc12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MDM2 Q00987 4/20 0.37
PLA2G4A P47712 2/20 0.36
AKR1C3 P42330 4/20 0.35
AKR1C2 P52895 4/20 0.35
PTGS1 P23219 2/20 0.35
AKR1C4 P17516 2/20 0.34
AKR1C1 Q04828 2/20 0.34
ALDH1A1 P00352 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
NR1H2 P55055 1/20 0.34
NR1H3 Q13133 1/20 0.34
OXER1 Q8TDS5 1/20 0.33
LMNA P02545 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
HSP90AA1 P07900 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
PTGDR2 Q9Y5Y4 2/20 0.33
PTGDR Q13258 1/20 0.33
PTGS2 P35354 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
SCHEMBL949818 0.86 MDM2 (0.34) MDM2ALDH1A1L3MBTL1PTGS2KDM4E
SCHEMBL948598 0.85 NR1H2 (0.37) PLA2G4AAKR1C3AKR1C2PTGS1AKR1C4
SCHEMBL948799 0.84 AKR1C3 (0.40) PLA2G4AAKR1C3AKR1C2PTGS1AKR1C4
SCHEMBL948678 0.81 MDM2 (0.39) MDM2NR1H2LMNANPSR1HSP90AA1
SCHEMBL947384 0.79 AKR1C3 (0.39) PLA2G4AAKR1C3AKR1C2PTGS1AKR1C4
SCHEMBL950193 0.77 MDM2 (0.38) MDM2AKR1C3LMNANPSR1HSP90AA1
SCHEMBL947189 0.74 NR1H2 (0.42) NR1H2NR1H3OXER1NPSR1HTT
SCHEMBL950797 0.72 ALDH1A1 (0.35) ALDH1A1L3MBTL1NR1H2LMNAPTGS2
SCHEMBL5441049 0.71 MEN1 (0.35) AKR1C3AKR1C2AKR1C4AKR1C1ALDH1A1
SCHEMBL19952435 0.68 AKR1C4 (0.39) AKR1C3AKR1C2AKR1C4AKR1C1ALDH1A1

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 MDM2 4128/4885PLA2G4A 4307/4885AKR1C3 1024/4885
US-20110009389-A1 IMIDAZOLE DERIVATIVE, THEIR PRODUCTION AND USE F2, H1-3, CYC1 MDM2 4267/4885PLA2G4A 4362/4885AKR1C3 1102/4885

“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.