SCHEMBL6355494

SCHEMBL6355494

COC(=O)CCCC(=O)c1ccc(NC(=O)c2cccc(S(=O)(=O)N3CCc4ccc(Cl)cc43)c2)c(C(=O)O)c1

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 12/20 0.58
▸ PPARD Q03181 12/20 0.58
▸ PPARA Q07869 11/20 0.58
▸ CPT1A P50416 5/20 0.51
▸ CPT1B Q92523 5/20 0.51
▸ ALB P02768 1/20 0.51
▸ CPT2 P23786 3/20 0.48
▸ TNF P01375 1/20 0.47
▸ NOD2 Q9HC29 1/20 0.47
▸ NOD1 Q9Y239 1/20 0.47

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
SCHEMBL6352803 0.84 CPT1A (0.49) PPARGPPARDPPARACPT1ACPT1B
SCHEMBL6359987 0.82 PPARG (0.65) PPARGPPARDPPARACPT1ACPT1B
SCHEMBL6358782 0.81 PPARG (0.64) PPARGPPARDPPARAALBTNF
SCHEMBL6353192 0.81 PPARG (0.62) PPARGPPARDPPARACPT1ACPT1B
SCHEMBL6357317 0.79 ALB (0.53) PPARGPPARDPPARAALB
SCHEMBL6346544 0.78 PPARG (0.66) PPARGPPARDPPARAALBTNF
SCHEMBL6351428 0.78 PPARG (0.65) PPARGPPARDPPARAALBTNF
SCHEMBL6351239 0.78 PPARG (0.65) PPARGPPARDPPARAALBTNF
SCHEMBL6356719 0.77 PPARG (0.64) PPARGPPARDPPARAALBTNF
SCHEMBL6349468 0.77 PPARG (0.57) PPARGPPARDPPARAALBTNF

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-20050113450-A1 Antibacterial agents PHARMACIA & UPJOHN COMPANY 2005-05-26 — — US claimed

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.

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