SCHEMBL4879003

SCHEMBL4879003

O=C(Nc1cc(O)cc(C(=O)O)c1)OCc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 2/20 0.58
POLB P06746 1/20 0.57
ENPP2 Q13822 1/20 0.52
NPC1 O15118 1/20 0.52
ALDH1A1 P00352 1/20 0.52
TP53 P04637 1/20 0.52
MAPT P10636 1/20 0.52
TSHR P16473 1/20 0.52
RAB9A P51151 1/20 0.52
ATM Q13315 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52

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
SCHEMBL6139487 0.93 MGLL (0.62) MGLLPOLBENPP2NPC1ALDH1A1
SCHEMBL3937278 0.93 MGLL (0.62) MGLLPOLBENPP2NPC1ALDH1A1
SCHEMBL655257 0.90 MGLL (0.66) MGLLPOLBENPP2NPC1ALDH1A1
SCHEMBL9459601 0.90 MGLL (0.66) MGLLPOLBENPP2NPC1ALDH1A1
SCHEMBL4871235 0.88 KDM4E (0.56) MGLLPOLBENPP2NPC1ALDH1A1
SCHEMBL2529957 0.85 KDM4E (0.59) MGLLPOLBNPC1ALDH1A1RAB9A
SCHEMBL6400257 0.84 MGLL (0.72) MGLLPOLBENPP2NPC1ALDH1A1
SCHEMBL3197311 0.84 L3MBTL1 (0.54) MGLLPOLBNPC1TP53MAPT
SCHEMBL28423480 0.83 MGLL (0.58) MGLLPOLBENPP2NPC1ALDH1A1
SCHEMBL27613056 0.83 MGLL (0.58) MGLLPOLBENPP2NPC1ALDH1A1

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 MGLL 2688/4885POLB 356/4885ENPP2 599/4885

“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.