SCHEMBL31095019

SCHEMBL31095019

[2H]c1c([2H])c([2H])c(-c2nc(CC([2H])([2H])OS(C)(=O)=O)c(C)o2)c([2H])c1[2H]

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PPARG P37231 17/20 0.37
PPARA Q07869 14/20 0.35
KDM4E B2RXH2 1/20 0.34
PPARD Q03181 2/20 0.33
FFAR1 O14842 1/20 0.33
HRH3 Q9Y5N1 1/20 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
SCHEMBL31094990 0.93 PPARG (0.32) PPARG
SCHEMBL31095002 0.90 PPARG (0.42) PPARGPPARAKDM4EPPARDFFAR1
SCHEMBL31094992 0.89 PPARG (0.40) PPARGPPARAKDM4EPPARDFFAR1
SCHEMBL31095004 0.84 KDM4E (0.52) PPARGPPARAKDM4EPPARDHRH3
SCHEMBL31095012 0.81 PPARG (0.34) PPARGPPARAKDM4EPPARDFFAR1
SCHEMBL31095024 0.79 PPARG (0.46) PPARGPPARAKDM4EPPARDFFAR1
SCHEMBL30193376 0.77 KDM4E (0.39) PPARGPPARAKDM4EPPARDFFAR1
SCHEMBL31095020 0.77 PPARG (0.45) PPARGPPARAKDM4EPPARDHRH3
SCHEMBL30193484 0.76 KDM4E (0.40) PPARGPPARAKDM4EPPARDFFAR1
SCHEMBL821405 0.70 PPARG (0.59) PPARGPPARAKDM4EPPARDHRH3

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240270731-A1 DEUTERATED COMPOUNDS ALEBUND PHARMACEUTICALS (HONG KONG) LIMITED (CN) 2024-08-15 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 (1 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-20240270731-A1 DEUTERATED COMPOUNDS CYP2D6, CYP11B2, DHCR7 PPARG 451/4885PPARA 601/4885KDM4E 4082/4885

“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.