SCHEMBL5032656

SCHEMBL5032656

CC(C)(C)OC(=O)CN(CCN(CC(=O)OC(C)(C)C)CC(Cc1ccc(NC(=O)OC(C)(C)C)cc1)N(CC(=O)OC(C)(C)C)Cc1ccccc1)Cc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PPARG P37231 3/20 0.41
PPARA Q07869 1/20 0.41
AKT1 P31749 2/20 0.40
GLS O94925 1/20 0.40
RORC P51449 1/20 0.38
CYP17A1 P05093 1/20 0.37
CTSL P07711 2/20 0.37
CTSB P07858 2/20 0.37
CTSS P25774 2/20 0.37
ATM Q13315 1/20 0.37
MMP1 P03956 1/20 0.37
MMP2 P08253 1/20 0.37
MMP9 P14780 1/20 0.37
MMP8 P22894 1/20 0.37
MMP13 P45452 1/20 0.37
DRD2 P14416 1/20 0.36
HDAC8 Q9BY41 1/20 0.36

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
SCHEMBL5033940 0.87 NR1D1 (0.36) AKT1CTSLCTSBCTSSATM
SCHEMBL5035679 0.84 NR1D1 (0.52) MMP1MMP2MMP9MMP8MMP13
SCHEMBL5032659 0.83 PPARG (0.40) PPARGPPARAGLSCYP17A1MMP1
SCHEMBL8090953 0.82 ATM (0.39) AKT1CTSLCTSBCTSSATM
SCHEMBL7570965 0.75 AKT1 (0.50) AKT1CTSLCTSBCTSS
SCHEMBL30915258 0.75 AKT1 (0.50) AKT1CTSLCTSBCTSS
SCHEMBL5374479 0.75 CTSS (0.38) CTSS
SCHEMBL3748687 0.74 NR1D1 (0.36) CTSS
SCHEMBL8091529 0.74 CTSS (0.39) CTSS
SCHEMBL7562431 0.74 AKT1 (0.49) AKT1CTSLCTSBCTSS

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 5 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
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 1351/4885AKT1 3876/4885

“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.