SCHEMBL6350433

SCHEMBL6350433

O=C(Nc1ccc(Br)cc1C(=O)O)c1ccc(S(=O)(=O)n2ccc3cc(F)ccc32)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 9/20 0.55
PPARD Q03181 9/20 0.55
PPARA Q07869 8/20 0.55
HDAC1 Q13547 4/20 0.49
FABP4 P15090 2/20 0.48
HDAC6 Q9UBN7 3/20 0.48
AKR1C2 P52895 2/20 0.48
AKR1C1 Q04828 2/20 0.48
KCNK2 O95069 1/20 0.48
KCNK10 P57789 1/20 0.48
HDAC3 O15379 1/20 0.46
HDAC4 P56524 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC10 Q969S8 1/20 0.46
HDAC11 Q96DB2 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC9 Q9UKV0 1/20 0.46
HDAC5 Q9UQL6 1/20 0.46
ALB P02768 1/20 0.45

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
SCHEMBL6352169 0.93 PPARG (0.55) PPARGPPARDPPARAFABP4AKR1C2
SCHEMBL6349494 0.89 PPARG (0.65) PPARGPPARDPPARAHDAC1FABP4
SCHEMBL6359265 0.87 MEN1 (0.57) PPARGPPARDPPARAHDAC1FABP4
SCHEMBL6350313 0.86 HDAC1 (0.68) PPARGPPARDPPARAHDAC1FABP4
SCHEMBL6357902 0.86 PPARG (0.49) PPARGPPARDPPARAHDAC1FABP4
SCHEMBL6351914 0.83 PPARG (0.65) PPARGPPARDPPARA
SCHEMBL6360128 0.79 CYP2C19 (0.52) PPARGPPARDPPARAHDAC1HDAC6
SCHEMBL6350593 0.78 PPARG (0.69) PPARGPPARDPPARAAKR1C2AKR1C1
SCHEMBL6360570 0.78 KCNK2 (0.68) HDAC1AKR1C2AKR1C1KCNK2KCNK10
SCHEMBL6350776 0.78 AKR1C2 (0.56) PPARGPPARDPPARAAKR1C2AKR1C1

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.