SCHEMBL1534471

SCHEMBL1534471

CC(C)(C)OC(=O)NC1(c2ccc(-c3c(-c4ccccc4)oc4ccc(Br)cc4c3=O)cc2)CCC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 2/20 0.45
AKT2 P31751 1/20 0.45
MAPT P10636 5/20 0.38
TSHR P16473 3/20 0.38
ALOX12 P18054 1/20 0.38
PLA2G2A P14555 1/20 0.38
PLA2G4A P47712 1/20 0.38
CYP3A4 P08684 2/20 0.37
CYP2C8 P10632 1/20 0.37
KDM4E B2RXH2 4/20 0.36
KMT2A Q03164 2/20 0.36
HTT P42858 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
ALDH1A1 P00352 2/20 0.36
HPGD P15428 2/20 0.36
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
LMNA P02545 2/20 0.35
ALOX15 P16050 1/20 0.35

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
SCHEMBL1534534 0.93 AKT1 (0.45) AKT1AKT2MAPTTSHRPLA2G2A
SCHEMBL1534320 0.90 CYP3A4 (0.42) AKT1AKT2MAPTPLA2G2APLA2G4A
SCHEMBL1534619 0.89 PLA2G2A (0.46) AKT1AKT2MAPTTSHRALOX12
SCHEMBL1901791 0.89 PLA2G2A (0.46) AKT1AKT2MAPTTSHRALOX12
SCHEMBL1534610 0.89 ALDH1A1 (0.48) AKT1AKT2MAPTTSHRCYP3A4
SCHEMBL1534384 0.87 AKT1 (0.40) AKT1AKT2MAPTTSHRPLA2G2A
SCHEMBL1534857 0.87 AKT1 (0.43) AKT1AKT2MAPTPLA2G2APLA2G4A
SCHEMBL1534621 0.87 AKT1 (0.42) AKT1AKT2PLA2G2APLA2G4ACYP3A4
SCHEMBL1534576 0.87 AKT1 (0.44) AKT1AKT2MAPTPLA2G2APLA2G4A
SCHEMBL1534423 0.87 PDE2A (0.46) AKT1AKT2MAPTTSHRPLA2G2A

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-8546376-B2 Pharmaceutical compounds ALMAC DISCOVERY LIMITED (GB) 2013-10-01 US disclosed
US-20120238541-A1 PHARMACEUTICAL COMPOUNDS ALMAC DISCOVERY LIMITED (GB) 2012-09-20 US disclosed
EP-2473495-A1 PHARMACEUTICAL COMPOUNDS Almac Discovery Limited (GB) 2012-07-11 EP disclosed
WO-2011033265-A1 PHARMACEUTICAL COMPOUNDS ALMAC DISCOVERY LIMITED (GB) 2011-03-24 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-20120238541-A1 PHARMACEUTICAL COMPOUNDS PIK3CA, PLK1, MTOR AKT1 6/4885AKT2 4/4885MAPT 640/4885

“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.