SCHEMBL948799

SCHEMBL948799

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 6/20 0.40
AKR1C2 P52895 5/20 0.40
PTGS1 P23219 2/20 0.40
AR P10275 2/20 0.40
AKR1C4 P17516 2/20 0.40
AKR1C1 Q04828 2/20 0.40
PLA2G4A P47712 1/20 0.37
NR1H2 P55055 1/20 0.37
NR1H3 Q13133 1/20 0.37
KMO O15229 1/20 0.35
ALDH1A1 P00352 1/20 0.35
APEX1 P27695 1/20 0.34
USP2 O75604 1/20 0.34
PPARG P37231 1/20 0.34
PPARD Q03181 1/20 0.34
PTGS2 P35354 1/20 0.34
GABRA1 P14867 1/20 0.34
GABRG2 P18507 1/20 0.34
GABRB3 P28472 1/20 0.34
GABRA5 P31644 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
SCHEMBL947384 0.94 AKR1C3 (0.39) AKR1C3AKR1C2PTGS1ARAKR1C4
SCHEMBL948598 0.91 NR1H2 (0.37) AKR1C3AKR1C2PTGS1ARAKR1C4
SCHEMBL5441049 0.85 MEN1 (0.35) AKR1C3AKR1C2ARAKR1C4AKR1C1
SCHEMBL951206 0.84 MDM2 (0.37) AKR1C3AKR1C2PTGS1ARAKR1C4
SCHEMBL947189 0.79 NR1H2 (0.42) NR1H2NR1H3KMOPPARGPPARD
SCHEMBL31666014 0.77 GABRG2 (0.41) AKR1C3AKR1C2PTGS1ARAKR1C4
SCHEMBL21731846 0.77 GABRG2 (0.41) AKR1C3AKR1C2PTGS1ARAKR1C4
SCHEMBL950797 0.76 ALDH1A1 (0.35) NR1H2ALDH1A1PTGS2GABRA1GABRG2
SCHEMBL948861 0.74 F10 (0.60)
SCHEMBL27927287 0.72 GFER (0.43) ALDH1A1GABRA1GABRG2GABRB3GABRA5

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 AKR1C3 1024/4885AKR1C2 1400/4885PTGS1 358/4885
US-20110009389-A1 IMIDAZOLE DERIVATIVE, THEIR PRODUCTION AND USE F2, H1-3, CYC1 AKR1C3 1102/4885AKR1C2 1511/4885PTGS1 163/4885

“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.