SCHEMBL6358668

SCHEMBL6358668

O=C(Nc1ccc(Br)cc1C(=O)O)c1ccc(S(=O)(=O)n2cnc3ccccc32)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 3/20 0.49
PPARD Q03181 3/20 0.49
PPARA Q07869 3/20 0.49
ALB P02768 1/20 0.48
AKR1C1 Q04828 4/20 0.47
AKR1C2 P52895 3/20 0.47
AKR1C3 P42330 2/20 0.47
AKR1C4 P17516 1/20 0.47
ALDH3A1 P30838 4/20 0.47
MAPT P10636 1/20 0.47
POLB P06746 1/20 0.47
HTT P42858 1/20 0.47
NOD1 Q9Y239 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
KCNK2 O95069 1/20 0.46
KCNK10 P57789 1/20 0.46
GAA P10253 2/20 0.46
USP2 O75604 1/20 0.46
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46

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 0.82 MEN1 (0.57) PPARGPPARDPPARAALBAKR1C1
SCHEMBL6350776 0.78 AKR1C2 (0.56) PPARGPPARDPPARAALBAKR1C1
SCHEMBL6360128 0.77 CYP2C19 (0.52) PPARGPPARDPPARAALBAKR1C1
SCHEMBL6351210 0.77 PPARG (0.53) PPARGPPARDPPARA
SCHEMBL6356877 0.75 ALB (0.65) PPARGPPARDPPARAALBPOLB
SCHEMBL9513479 0.75 MAPT (0.80) AKR1C1AKR1C2AKR1C3AKR1C4MAPT
SCHEMBL17166275 0.75 AKR1C2 (0.73) AKR1C1AKR1C2AKR1C3AKR1C4MAPT
SCHEMBL6352169 0.74 PPARG (0.55) PPARGPPARDPPARAALBAKR1C1
SCHEMBL6351914 0.74 PPARG (0.65) PPARGPPARDPPARA
SCHEMBL6349494 0.74 PPARG (0.65) PPARGPPARDPPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050113450-A1 Antibacterial agents PHARMACIA & UPJOHN COMPANY 2005-05-26 US claimed
WO-2004018414-A2 ANTIBACTERIAL AGENTS PHARMACIA & UPJOHN COMPANY LLC (US) 2004-03-04 WO 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.