SCHEMBL4880223

SCHEMBL4880223

C=CCN(C(=O)OCc1ccccc1)c1cc(NC(C)=O)cc(C(=O)OC)c1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.50
ALDH1A1 P00352 6/20 0.43
KDM4E B2RXH2 4/20 0.43
HPGD P15428 5/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
TSHR P16473 2/20 0.38
NPC1 O15118 1/20 0.38
GAA P10253 1/20 0.38
MAPK1 P28482 1/20 0.38
HSD17B10 Q99714 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
HTT P42858 2/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.38
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37

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
SCHEMBL2532552 0.88 HPGD (0.44) RAB9AALDH1A1KDM4EHPGDLMNA
SCHEMBL2530507 0.87 ALDH1A1 (0.43) RAB9AALDH1A1KDM4EHPGDLMNA
SCHEMBL4878311 0.87 HPGD (0.47) RAB9AALDH1A1KDM4EHPGDLMNA
SCHEMBL2526880 0.85 TSHR (0.47) RAB9AALDH1A1KDM4EHPGDLMNA
SCHEMBL2533468 0.85 ALDH1A1 (0.43) RAB9AALDH1A1KDM4EHPGDLMNA
SCHEMBL2531178 0.84 HPGD (0.42) RAB9AALDH1A1KDM4EHPGDLMNA
SCHEMBL4877948 0.84 ALDH1A1 (0.43) RAB9AALDH1A1KDM4EHPGDLMNA
SCHEMBL2527578 0.84 ALDH1A1 (0.43) RAB9AALDH1A1KDM4EHPGDLMNA
SCHEMBL4880234 0.83 HPGD (0.42) RAB9AALDH1A1KDM4EHPGDLMNA
SCHEMBL4872892 0.82 RAB9A (0.42) RAB9AALDH1A1KDM4EHPGDLMNA

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 RAB9A 2224/4885ALDH1A1 2631/4885KDM4E 3337/4885

“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.