SCHEMBL4871580

SCHEMBL4871580

C=CCOc1cc(OC(=O)N(C)C)cc(C(=O)O)c1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 1/20 0.42
RAB9A P51151 2/20 0.41
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
FFAR1 O14842 1/20 0.40
KDM4E B2RXH2 2/20 0.39
NPC1 O15118 1/20 0.39
ALDH1A1 P00352 2/20 0.39
PKM P14618 2/20 0.39
BCHE P06276 4/20 0.39
ACHE P22303 3/20 0.39
LMNA P02545 3/20 0.39
CYP2D6 P10635 2/20 0.39
ADRB2 P07550 1/20 0.39
KCNH2 Q12809 1/20 0.39
CYP2C19 P33261 1/20 0.39
NPSR1 Q6W5P4 1/20 0.37
POLB P06746 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
SCHEMBL4877066 0.86 BCHE (0.40) RAB9AKMT2ANPC1ALDH1A1PKM
SCHEMBL20838307 0.85 MEN1 (0.51) PLA2G2ARAB9AKMT2AMEN1FFAR1
SCHEMBL4872668 0.84 PLA2G2A (0.45) PLA2G2ARAB9AKMT2AMEN1FFAR1
SCHEMBL4880376 0.83 SMN1; SMN2 (0.44) PLA2G2ARAB9AKMT2AMEN1FFAR1
SCHEMBL4872533 0.83 SMN1; SMN2 (0.44) PLA2G2ARAB9AKMT2AMEN1FFAR1
SCHEMBL2527537 0.83 FFAR1 (0.41) PLA2G2ARAB9AKMT2AMEN1FFAR1
SCHEMBL644797 0.82 FFAR1 (0.49) PLA2G2ARAB9AKMT2AMEN1FFAR1
SCHEMBL4878837 0.81 PLA2G2A (0.47) PLA2G2ARAB9AKMT2AMEN1FFAR1
SCHEMBL4868621 0.78 PLA2G2A (0.45) PLA2G2ARAB9AKMT2AMEN1FFAR1
SCHEMBL2529384 0.78 KDM4E (0.47) PLA2G2ARAB9AKMT2AMEN1FFAR1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080132477-A1 Macrocyclic Compounds Useful as Bace Inhibitors NOVARTIS AG (CH) 2008-06-05 US disclosed
EP-1851208-A1 MACROCYCLIC COMPOUNDS USEFUL AS BACE INHIBITORS Novartis AG (CH) 2007-11-07 EP disclosed
WO-2006074950-A1 MACROCYCLIC COMPOUNDS USEFUL AS BACE INHIBITORS NOVARTIS AG (CH) 2006-07-20 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-20080132477-A1 Macrocyclic Compounds Useful as Bace Inhibitors BACE1, BACE2, APP PLA2G2A 4230/4885RAB9A 2224/4885KMT2A 3447/4885

“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.