SCHEMBL6357902

SCHEMBL6357902

O=C(Nc1ccc(Br)cc1C(=O)O)c1ccc(S(=O)(=O)n2ccc3cc(F)c(Cl)cc32)cc1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PPARG P37231 12/20 0.49
PPARD Q03181 12/20 0.49
PPARA Q07869 12/20 0.49
AKR1C2 P52895 2/20 0.48
AKR1C1 Q04828 2/20 0.48
KCNK2 O95069 1/20 0.46
KCNK10 P57789 1/20 0.46
ALB P02768 1/20 0.45
HDAC1 Q13547 1/20 0.45
MAPT P10636 1/20 0.42
AKR1C4 P17516 1/20 0.42
AKR1C3 P42330 1/20 0.42
CPT2 P23786 1/20 0.42
CPT1A P50416 1/20 0.42
CPT1B Q92523 1/20 0.42
FABP4 P15090 1/20 0.42

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
SCHEMBL6350433 0.86 PPARG (0.55) PPARGPPARDPPARAAKR1C2AKR1C1
SCHEMBL6349494 0.86 PPARG (0.65) PPARGPPARDPPARAHDAC1FABP4
SCHEMBL6351914 0.86 PPARG (0.65) PPARGPPARDPPARACPT2CPT1A
SCHEMBL6352169 0.86 PPARG (0.55) PPARGPPARDPPARAAKR1C2AKR1C1
SCHEMBL6359265 0.83 MEN1 (0.57) PPARGPPARDPPARAAKR1C2AKR1C1
SCHEMBL6350313 0.80 HDAC1 (0.68) PPARGPPARDPPARAHDAC1MAPT
SCHEMBL6352881 0.77 MAPT (0.56) PPARGPPARDPPARAAKR1C2AKR1C1
SCHEMBL6360128 0.76 CYP2C19 (0.52) PPARGPPARDPPARAAKR1C2AKR1C1
SCHEMBL6350776 0.75 AKR1C2 (0.56) PPARGPPARDPPARAAKR1C2AKR1C1
SCHEMBL6356877 0.74 ALB (0.65) 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 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.