SCHEMBL2526014

SCHEMBL2526014

C=CCOC(=O)c1cc(NS(=O)(=O)CCC)cc(N(CC=C)C(=O)OCc2ccccc2)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.36
MAPT P10636 3/20 0.36
HPGD P15428 1/20 0.36
RAB9A P51151 5/20 0.36
AR P10275 2/20 0.35
MAPK1 P28482 1/20 0.35
F13A1 P00488 1/20 0.35
TGM2 P21980 1/20 0.35
TGM1 P22735 1/20 0.35
KMT2A Q03164 2/20 0.34
GAA P10253 1/20 0.34
BTK Q06187 1/20 0.33
SLC6A2 P23975 1/20 0.32
SLC6A3 Q01959 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
KDM4E B2RXH2 2/20 0.32
TSHR P16473 1/20 0.32
CYP3A4 P08684 1/20 0.32
PKM P14618 1/20 0.31
SMN1; SMN2 Q16637 2/20 0.31

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
SCHEMBL2527725 0.84 MAPT (0.40) ALDH1A1MAPTHPGDRAB9AMAPK1
SCHEMBL4699372 0.82 MAPT (0.36) ALDH1A1MAPTHPGDRAB9AF13A1
SCHEMBL2526066 0.79 ALDH1A1 (0.41) ALDH1A1MAPTHPGDRAB9AKMT2A
SCHEMBL4880223 0.77 RAB9A (0.50) ALDH1A1MAPTHPGDRAB9AMAPK1
SCHEMBL2528439 0.76 ALDH1A1 (0.40) ALDH1A1MAPTHPGDRAB9AKMT2A
SCHEMBL2530507 0.75 ALDH1A1 (0.43) ALDH1A1MAPTHPGDRAB9AMAPK1
SCHEMBL2529528 0.75 ALDH1A1 (0.38) ALDH1A1MAPTHPGDRAB9AF13A1
SCHEMBL4878311 0.75 HPGD (0.47) ALDH1A1MAPTHPGDRAB9AMAPK1
SCHEMBL2532552 0.74 HPGD (0.44) ALDH1A1MAPTHPGDRAB9AMAPK1
SCHEMBL2533468 0.73 ALDH1A1 (0.43) ALDH1A1MAPTHPGDRAB9AMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8039455-B2 Macrocyclic compounds useful as BACE inhibitors NOVARTIS AG (CH) 2011-10-18 US disclosed
US-20090029960-A1 MACROCYCLIC COMPOUNDS USEFUL AS BASE INHIBITORS NOVARTIS AG (CH) 2009-01-29 US disclosed
EP-1968954-A1 MACROCYCLIC COMPOUNDS USEFUL AS BACE INHIBITORS Novartis AG (CH) 2008-09-17 EP disclosed
WO-2007077004-A1 MACROCYCLIC COMPOUNDS USEFUL AS BACE INHIBITORS NOVARTIS AG (CH) 2007-07-12 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-20090029960-A1 MACROCYCLIC COMPOUNDS USEFUL AS BASE INHIBITORS SLC10A2, SLC10A1, ASAH2 ALDH1A1 2955/4885MAPT 2771/4885HPGD 889/4885

“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.