SCHEMBL6350593

SCHEMBL6350593

O=C(Nc1ccc(Br)cc1C(=O)O)c1cccc(S(=O)(=O)n2ccc3ccccc32)c1

nearest known ligand 0.69

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PPARG P37231 18/20 0.69
PPARD Q03181 18/20 0.69
PPARA Q07869 17/20 0.69
ALB P02768 1/20 0.62
AKR1C4 P17516 1/20 0.58
AKR1C3 P42330 1/20 0.58
AKR1C2 P52895 1/20 0.58
AKR1C1 Q04828 1/20 0.58

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
SCHEMBL6359265 0.90 MEN1 (0.57) PPARGPPARDPPARAALBAKR1C4
SCHEMBL6360391 0.86 PPARG (0.66) PPARGPPARDPPARAALB
SCHEMBL6357153 0.79 ALB (0.83) PPARGPPARDPPARAALBAKR1C4
SCHEMBL6357944 0.79 HTR6 (0.68) PPARGPPARDPPARAAKR1C3AKR1C1
SCHEMBL6352169 0.78 PPARG (0.55) PPARGPPARDPPARAALBAKR1C4
SCHEMBL6349494 0.78 PPARG (0.65) PPARGPPARDPPARA
SCHEMBL6350433 0.78 PPARG (0.55) PPARGPPARDPPARAALBAKR1C4
SCHEMBL6351914 0.78 PPARG (0.65) PPARGPPARDPPARA
SCHEMBL6352232 0.78 AKR1C2 (0.69) PPARGPPARDPPARAALBAKR1C4
SCHEMBL6346566 0.77 ALB (1.00) PPARGPPARDPPARAALB

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-20050113450-A1 Antibacterial agents PHARMACIA & UPJOHN COMPANY 2005-05-26 US claimed
US-20050113450-A1 Antibacterial agents PHARMACIA & UPJOHN COMPANY 2005-05-26 US disclosed
WO-2004018414-A2 ANTIBACTERIAL AGENTS PHARMACIA & UPJOHN COMPANY LLC (US) 2004-03-04 WO 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-20050113450-A1 Antibacterial agents CLPP, SPOUT1, SAMHD1 PPARG 3572/4885PPARD 2519/4885PPARA 2335/4885

“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.