SCHEMBL4880376

SCHEMBL4880376

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.44
FFAR1 O14842 1/20 0.43
PLA2G2A P14555 1/20 0.42
KDM4E B2RXH2 3/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
POLB P06746 4/20 0.39
ALDH1A1 P00352 3/20 0.39
MAPT P10636 1/20 0.39
TP53 P04637 1/20 0.39
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
KEAP1 Q14145 3/20 0.38
NFE2L2 Q16236 3/20 0.38
SRD5A2 P31213 1/20 0.38
BRD4 O60885 1/20 0.36
BRD2 P25440 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
SCHEMBL4872533 1.00 SMN1; SMN2 (0.44) SMN1; SMN2FFAR1PLA2G2AKDM4ENPC1
SCHEMBL4872538 0.88 SMN1; SMN2 (0.40) SMN1; SMN2FFAR1KDM4ENPC1RAB9A
SCHEMBL20838307 0.85 MEN1 (0.51) SMN1; SMN2FFAR1PLA2G2AKDM4ENPC1
SCHEMBL2529384 0.84 KDM4E (0.47) SMN1; SMN2FFAR1PLA2G2AKDM4ENPC1
SCHEMBL4871580 0.83 PLA2G2A (0.42) FFAR1PLA2G2AKDM4ENPC1RAB9A
SCHEMBL2527537 0.83 FFAR1 (0.41) SMN1; SMN2FFAR1PLA2G2AKDM4ENPC1
SCHEMBL644797 0.82 FFAR1 (0.49) SMN1; SMN2FFAR1PLA2G2AKDM4ENPC1
SCHEMBL4878837 0.81 PLA2G2A (0.47) SMN1; SMN2FFAR1PLA2G2AKDM4ENPC1
SCHEMBL4872668 0.78 PLA2G2A (0.45) SMN1; SMN2FFAR1PLA2G2AKDM4ENPC1
SCHEMBL4868621 0.78 PLA2G2A (0.45) SMN1; SMN2FFAR1PLA2G2AKDM4ENPC1

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 SMN1; SMN2 1117/4885FFAR1 1949/4885PLA2G2A 4230/4885

“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.