SCHEMBL5031100

SCHEMBL5031100

CC(C)(C)OC(=O)CNCCN(CC(=O)OC(C)(C)C)CC(Cc1ccc(NC(=O)OC(C)(C)C)cc1)NCC(=O)OC(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 3/20 0.40
PPARA Q07869 1/20 0.40
CYP17A1 P05093 1/20 0.39
ATM Q13315 1/20 0.36
MAPT P10636 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
NR1I3 Q14994 2/20 0.34
MMP1 P03956 1/20 0.34
MMP2 P08253 1/20 0.34
MMP9 P14780 1/20 0.34
MMP8 P22894 1/20 0.34
MMP13 P45452 1/20 0.34
DRD2 P14416 1/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.34
MAPK14 Q16539 1/20 0.34
HDAC3 O15379 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
NCOR2 Q9Y618 1/20 0.34
GLS O94925 1/20 0.34
KDM4E B2RXH2 1/20 0.33

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
SCHEMBL14453519 0.93 PPARG (0.37) PPARGPPARACYP17A1ATMMAPT
SCHEMBL8017774 0.77 ATM (0.46) ATMMAPTTDP1
SCHEMBL23197893 0.73 ACACB (0.31)
SCHEMBL5032659 0.72 PPARG (0.40) PPARGPPARACYP17A1MAPTTDP1
SCHEMBL6536011 0.71 MAOA (0.36) TDP1KDM4E
SCHEMBL13427909 0.71 MAOA (0.36) TDP1KDM4E
SCHEMBL10054669 0.71 PPIB (0.32)
SCHEMBL5032656 0.70 PPARG (0.41) PPARGPPARACYP17A1ATMMMP1
SCHEMBL22234380 0.69 MAOA (0.33) KDM4E
SCHEMBL8019850 0.69 MAOA (0.35)

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-20080176339-A1 NEUTRAL LABELING REACTANTS AND CONJUGATES DERIVED THEREOF WALLAC OY (FI) 2008-07-24 US disclosed
US-20080176339-A1 NEUTRAL LABELING REACTANTS AND CONJUGATES DERIVED THEREOF WALLAC OY (FI) 2008-07-24 US disclosed
US-20080176339-A1 NEUTRAL LABELING REACTANTS AND CONJUGATES DERIVED THEREOF WALLAC OY (FI) 2008-07-24 US disclosed
US-20070166228-A1 Neutral labeling reactants and conjugates derived thereof WALLAC OY (FI) 2007-07-19 US 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-20070166228-A1 Neutral labeling reactants and conjugates derived thereof NAAA, DNPEP, PAM PPARG 1303/4885PPARA 1351/4885CYP17A1 4192/4885

“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.