SCHEMBL6350313

SCHEMBL6350313

COc1ccc2c(ccn2S(=O)(=O)c2ccc(C(=O)Nc3ccc(Br)cc3C(=O)O)cc2)c1

nearest known ligand 0.68

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 6/20 0.68
HDAC6 Q9UBN7 4/20 0.68
PPARG P37231 11/20 0.68
PPARD Q03181 11/20 0.68
PPARA Q07869 10/20 0.68
HTR6 P50406 2/20 0.61
POLB P06746 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
MAPT P10636 1/20 0.52
HDAC3 O15379 2/20 0.51
HDAC8 Q9BY41 2/20 0.51
HDAC4 P56524 1/20 0.51
HDAC7 Q8WUI4 1/20 0.51
HDAC2 Q92769 1/20 0.51
HDAC10 Q969S8 1/20 0.51
HDAC11 Q96DB2 1/20 0.51
HDAC9 Q9UKV0 1/20 0.51
HDAC5 Q9UQL6 1/20 0.51
FABP4 P15090 1/20 0.48

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) HDAC1HDAC6PPARGPPARDPPARA
SCHEMBL6349494 0.86 PPARG (0.65) HDAC1HDAC6PPARGPPARDPPARA
SCHEMBL6359265 0.85 MEN1 (0.57) HDAC1HDAC6PPARGPPARDPPARA
SCHEMBL31159337 0.81 HDAC1 (1.00) HDAC1HDAC6PPARGPPARDPPARA
SCHEMBL6351914 0.81 PPARG (0.65) PPARGPPARDPPARA
SCHEMBL6352169 0.81 PPARG (0.55) PPARGPPARDPPARAMAPTFABP4
SCHEMBL6357902 0.80 PPARG (0.49) HDAC1PPARGPPARDPPARAMAPT
SCHEMBL31159375 0.80 HDAC1 (0.77) HDAC1HDAC6PPARGPPARDPPARA
SCHEMBL6349859 0.79 MAPT (0.76) MAPT
SCHEMBL31159555 0.79 HTR6 (0.76) HDAC1HDAC6PPARGPPARDPPARA

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 HDAC1 3341/4885HDAC6 1485/4885PPARG 3572/4885

“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.