SCHEMBL6351979

SCHEMBL6351979

O=C(Nc1ccc(Br)cc1C(=O)O)c1ccc(S(=O)(=O)N2CCc3cccnc32)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 6/20 0.55
PPARD Q03181 6/20 0.55
PPARA Q07869 6/20 0.55
HDAC1 Q13547 3/20 0.52
HDAC6 Q9UBN7 3/20 0.52
HDAC3 O15379 2/20 0.52
HDAC4 P56524 2/20 0.52
HDAC7 Q8WUI4 2/20 0.52
HDAC2 Q92769 2/20 0.52
HDAC10 Q969S8 2/20 0.52
HDAC11 Q96DB2 2/20 0.52
HDAC8 Q9BY41 2/20 0.52
HDAC9 Q9UKV0 2/20 0.52
HDAC5 Q9UQL6 2/20 0.52
ALB P02768 2/20 0.49
CNR1 P21554 1/20 0.45
CNR2 P34972 1/20 0.45
AKR1C4 P17516 1/20 0.44
AKR1C3 P42330 1/20 0.44
AKR1C2 P52895 1/20 0.44

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
SCHEMBL6360347 0.85 CNR1 (0.62) PPARGPPARDPPARACNR1CNR2
SCHEMBL6346610 0.80 MEN1 (0.64) PPARGPPARDPPARACNR1CNR2
SCHEMBL15788196 0.79 MAPT (0.61) PPARGPPARDPPARAMAPTMEN1
SCHEMBL6357406 0.79 CPT1A (0.54) PPARGPPARDPPARAALBCNR1
SCHEMBL6359509 0.79 MAPT (0.63) PPARGPPARDPPARACNR1CNR2
SCHEMBL6346508 0.78 MEN1 (0.66) CNR1CNR2TUBB4ATUBBTUBA3C
SCHEMBL6352881 0.77 MAPT (0.56) PPARGPPARDPPARAALBAKR1C2
SCHEMBL6356877 0.77 ALB (0.65) PPARGPPARDPPARAALBMEN1
SCHEMBL6347350 0.76 PPARG (0.74) PPARGPPARDPPARAALBAKR1C3
SCHEMBL6360128 0.76 CYP2C19 (0.52) PPARGPPARDPPARAHDAC1HDAC6

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.