SCHEMBL782349

SCHEMBL782349

CC(C)(C)OC(=O)CN(CC(=O)O)Cc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 3/20 0.51
NR1D1 P20393 4/20 0.46
CTSL P07711 2/20 0.46
CTSB P07858 2/20 0.46
CTSS P25774 2/20 0.46
NR1H3 Q13133 1/20 0.46
RIPK1 Q13546 2/20 0.42
ABCB1 P08183 1/20 0.41
MEN1 O00255 1/20 0.41
HTT P42858 1/20 0.41
KMT2A Q03164 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HDAC3 O15379 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41
NCOR2 Q9Y618 1/20 0.41

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
SCHEMBL782348 0.95 AKT1 (0.55) AKT1NR1D1CTSLCTSBCTSS
SCHEMBL23130693 0.89 AKT1 (0.50) AKT1NR1D1CTSLCTSBCTSS
SCHEMBL7570965 0.89 AKT1 (0.50) AKT1NR1D1CTSLCTSBCTSS
SCHEMBL8018235 0.89 AKT1 (0.50) AKT1NR1D1CTSLCTSBCTSS
SCHEMBL30915258 0.89 AKT1 (0.50) AKT1NR1D1CTSLCTSBCTSS
SCHEMBL7562431 0.88 AKT1 (0.49) AKT1NR1D1CTSLCTSBCTSS
SCHEMBL3844227 0.87 MEN1 (0.52) AKT1NR1D1CTSLCTSBCTSS
SCHEMBL3775112 0.87 AKT1 (0.51) AKT1NR1D1CTSLCTSBCTSS
SCHEMBL25539127 0.87 AKT1 (0.48) AKT1NR1D1CTSLCTSBCTSS
SCHEMBL13163615 0.85 TSHR (0.53) AKT1NR1D1CTSLCTSBCTSS

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-20120070856-A1 CROSS-LINKING AGENTS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) 2012-03-22 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-20120070856-A1 CROSS-LINKING AGENTS ORC3, TXN, PROC AKT1 4739/4885NR1D1 2177/4885CTSL 4328/4885

“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.