SCHEMBL4874173

SCHEMBL4874173

C=CCN(C(=O)OCc1ccccc1)c1cc(NCC(C)=O)cc(C(=O)O)c1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.38
ALDH1A1 P00352 2/20 0.37
MAPT P10636 2/20 0.37
HPGD P15428 1/20 0.37
TSHR P16473 1/20 0.36
KDM4E B2RXH2 1/20 0.35
NPC1 O15118 1/20 0.35
F13A1 P00488 1/20 0.35
TGM2 P21980 1/20 0.35
TGM1 P22735 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
FFAR1 O14842 2/20 0.34
BTK Q06187 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
AKR1C3 P42330 1/20 0.33
HCAR2 Q8TDS4 1/20 0.33

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
SCHEMBL2526958 0.84 ALDH1A1 (0.41) RAB9AALDH1A1MAPTHPGDTSHR
SCHEMBL2526914 0.83 TSHR (0.41) RAB9AALDH1A1MAPTHPGDTSHR
SCHEMBL4872653 0.82 ALDH1A1 (0.40) RAB9AALDH1A1MAPTHPGDTSHR
SCHEMBL4874179 0.82 ALDH1A1 (0.42) RAB9AALDH1A1MAPTHPGDTSHR
SCHEMBL2532574 0.81 MEN1 (0.45) RAB9AALDH1A1MAPTHPGDTSHR
SCHEMBL2528124 0.81 TSHR (0.49) RAB9AALDH1A1MAPTHPGDTSHR
SCHEMBL2530897 0.81 ALDH1A1 (0.43) ALDH1A1MAPTHPGDTSHRF13A1
SCHEMBL4880223 0.80 RAB9A (0.50) RAB9AALDH1A1MAPTHPGDTSHR
SCHEMBL2532552 0.78 HPGD (0.44) RAB9AALDH1A1MAPTHPGDTSHR
SCHEMBL4877059 0.78 MEN1 (0.39) ALDH1A1MAPTHPGDTSHRMEN1

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 2631/4885MAPT 37/4885

“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.