SCHEMBL5033940

SCHEMBL5033940

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1D1 P20393 4/20 0.36
AKT1 P31749 2/20 0.36
NR1H3 Q13133 1/20 0.36
OPRD1 P41143 3/20 0.35
OPRK1 P41145 3/20 0.35
PSEN1 P49768 2/20 0.34
PSEN2 P49810 2/20 0.34
APH1B Q8WW43 2/20 0.34
NCSTN Q92542 2/20 0.34
APH1A Q96BI3 2/20 0.34
PSENEN Q9NZ42 2/20 0.34
CTSL P07711 2/20 0.33
CTSB P07858 2/20 0.33
CTSS P25774 2/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
TP53 P04637 1/20 0.33
ATM Q13315 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
SCHEMBL3748687 0.88 NR1D1 (0.36) NR1D1NR1H3CTSSCA2
SCHEMBL5032656 0.87 PPARG (0.41) AKT1CTSLCTSBCTSSATM
SCHEMBL5035679 0.87 NR1D1 (0.52) NR1D1NR1H3NPC1RAB9ATP53
SCHEMBL8090953 0.85 ATM (0.39) NR1D1AKT1OPRD1OPRK1CTSL
SCHEMBL12761956 0.85 NR1D1 (0.34) NR1D1NR1H3
SCHEMBL9924674 0.83 NR1D1 (0.33) NR1D1NR1H3
SCHEMBL13375696 0.81 NR1D1 (0.33) NR1D1NR1H3NPC1RAB9A
SCHEMBL23197893 0.78 ACACB (0.31) NR1D1NR1H3
SCHEMBL30915258 0.78 AKT1 (0.50) NR1D1AKT1NR1H3CTSLCTSB
SCHEMBL7570965 0.78 AKT1 (0.50) NR1D1AKT1NR1H3CTSLCTSB

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 6 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
WO-2007082996-A1 NEUTRAL LABELING REACTANTS AND CONJUGATES DERIVED THEREOF WALLAC OY (FI) 2007-07-26 WO 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 NR1D1 4118/4885AKT1 3876/4885NR1H3 4182/4885

“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.